Organooxygen compounds
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Bis(hexafluoroacetylacetonato)nickel(II) Hydrate, TCI America™
CAS: 14949-69-0 Molecular Formula: C10H2F12NiO4 Molecular Weight (g/mol): 472.80 MDL Number: MFCD00150916 InChI Key: FOYNQRGOWAMUBM-UHFFFAOYSA-N Synonym: Hexafluoroacetylacetono Nickel(II) Salt, Nickel(II) Hexafluoroacetylacetonate PubChem CID: 56965474 IUPAC Name: nickel(2+) bis(1,1,1,5,5,5-hexafluoro-2,4-dioxopentan-3-ide) SMILES: [Ni++].FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F.FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F
| PubChem CID | 56965474 |
|---|---|
| CAS | 14949-69-0 |
| Molecular Weight (g/mol) | 472.80 |
| MDL Number | MFCD00150916 |
| SMILES | [Ni++].FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F.FC(F)(F)C(=O)[CH-]C(=O)C(F)(F)F |
| Synonym | Hexafluoroacetylacetono Nickel(II) Salt, Nickel(II) Hexafluoroacetylacetonate |
| IUPAC Name | nickel(2+) bis(1,1,1,5,5,5-hexafluoro-2,4-dioxopentan-3-ide) |
| InChI Key | FOYNQRGOWAMUBM-UHFFFAOYSA-N |
| Molecular Formula | C10H2F12NiO4 |
3,4-Dimethyl-1-pentyn-3-ol 96.0+%, TCI America™
CAS: 1482-15-1 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00039845 InChI Key: DZNLEQBXXLGELU-UHFFFAOYNA-N Synonym: 3,4-dimethyl-1-pentyn-3-ol,1-pentyn-3-ol, 3,4-dimethyl,acmc-1bzc3,2-isopropyl-3-butyne-2-ol,1-pentyn-3-ol,4-dimethyl,3,4-dimethyl-pent-1-yn-3-ol,dznleqbxxlgelu-uhfffaoysa,1-pentyn-3-ol,3,4-dimethyl,1,2-dimethyl-1-hydroxypropyl acetylene PubChem CID: 95483 IUPAC Name: 3,4-dimethylpent-1-yn-3-ol SMILES: CC(C)C(C)(O)C#C
| PubChem CID | 95483 |
|---|---|
| CAS | 1482-15-1 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00039845 |
| SMILES | CC(C)C(C)(O)C#C |
| Synonym | 3,4-dimethyl-1-pentyn-3-ol,1-pentyn-3-ol, 3,4-dimethyl,acmc-1bzc3,2-isopropyl-3-butyne-2-ol,1-pentyn-3-ol,4-dimethyl,3,4-dimethyl-pent-1-yn-3-ol,dznleqbxxlgelu-uhfffaoysa,1-pentyn-3-ol,3,4-dimethyl,1,2-dimethyl-1-hydroxypropyl acetylene |
| IUPAC Name | 3,4-dimethylpent-1-yn-3-ol |
| InChI Key | DZNLEQBXXLGELU-UHFFFAOYNA-N |
| Molecular Formula | C7H12O |
1-Octen-3-one 95.0+%, TCI America™
CAS: 4312-99-6 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00036558 InChI Key: KLTVSWGXIAYTHO-UHFFFAOYSA-N Synonym: 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 PubChem CID: 61346 IUPAC Name: oct-1-en-3-one SMILES: CCCCCC(=O)C=C
| PubChem CID | 61346 |
|---|---|
| CAS | 4312-99-6 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00036558 |
| SMILES | CCCCCC(=O)C=C |
| Synonym | 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 |
| IUPAC Name | oct-1-en-3-one |
| InChI Key | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O |
4-Methyl-3-penten-2-one (contains 4-Methyl-4-penten-2-one) 85.0+%, TCI America™
CAS: 141-79-7 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00008900 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C
| PubChem CID | 8858 |
|---|---|
| CAS | 141-79-7 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00008900 |
| SMILES | CC(=CC(=O)C)C |
| Synonym | mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone |
| IUPAC Name | 4-methylpent-3-en-2-one |
| InChI Key | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in Isopropyl Alcohol), TCI America™
CAS: 17501-79-0 Molecular Formula: C20H32O8Ti Molecular Weight (g/mol): 448.335 MDL Number: MFCD00045004 InChI Key: RYSXWUYLAWPLES-MTOQALJVSA-N Synonym: Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate PubChem CID: 44629996 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;titanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti]
| PubChem CID | 44629996 |
|---|---|
| CAS | 17501-79-0 |
| Molecular Weight (g/mol) | 448.335 |
| MDL Number | MFCD00045004 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti] |
| Synonym | Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate |
| IUPAC Name | (Z)-4-hydroxypent-3-en-2-one;titanium |
| InChI Key | RYSXWUYLAWPLES-MTOQALJVSA-N |
| Molecular Formula | C20H32O8Ti |
3,6-Dimethyl-4-octyne-3,6-diol 98.0+%, TCI America™
CAS: 78-66-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00004480 InChI Key: NUYADIDKTLPDGG-UHFFFAOYSA-N Synonym: 3,6-Dihydroxy-3,6-dimethyl-4-octyne PubChem CID: 6546 IUPAC Name: 3,6-dimethyloct-4-yne-3,6-diol SMILES: CCC(C)(C#CC(C)(CC)O)O
| PubChem CID | 6546 |
|---|---|
| CAS | 78-66-0 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00004480 |
| SMILES | CCC(C)(C#CC(C)(CC)O)O |
| Synonym | 3,6-Dihydroxy-3,6-dimethyl-4-octyne |
| IUPAC Name | 3,6-dimethyloct-4-yne-3,6-diol |
| InChI Key | NUYADIDKTLPDGG-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Tetrakis(2,4-pentanedionato)zirconium(IV), TCI America™
CAS: 17501-44-9 Molecular Formula: C20H28O8Zr Molecular Weight (g/mol): 487.66 MDL Number: MFCD00000036 InChI Key: DFPGFWYWSAYLCW-UHFFFAOYSA-N Synonym: 4-hydroxypent-3-en-2-one; zirconium PubChem CID: 50912253 IUPAC Name: zirconium(4+) tetrakis(2,4-dioxopentan-3-ide) SMILES: [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
| PubChem CID | 50912253 |
|---|---|
| CAS | 17501-44-9 |
| Molecular Weight (g/mol) | 487.66 |
| MDL Number | MFCD00000036 |
| SMILES | [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O |
| Synonym | 4-hydroxypent-3-en-2-one; zirconium |
| IUPAC Name | zirconium(4+) tetrakis(2,4-dioxopentan-3-ide) |
| InChI Key | DFPGFWYWSAYLCW-UHFFFAOYSA-N |
| Molecular Formula | C20H28O8Zr |
3-Methyl-1-penten-4-yn-3-ol 98.0+%, TCI America™
CAS: 3230-69-1 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.13 MDL Number: MFCD01709006 InChI Key: VBATUBQIYXCZPA-UHFFFAOYNA-N Synonym: 3-methyl-1-penten-4-yn-3-ol,1-penten-4-yn-3-ol, 3-methyl,ethynyl methyl vinyl carbinol,3-methyl-pent-4-en-1-yn-3-ol,3-methyl pent-4-en-l-yn-3-0l,acmc-209hsd,4-01-00-02309 beilstein handbook reference,ksc496k7h,wln: 1uu1xq1&1u1,3-methyl-4-penten-1-yn-3-ol PubChem CID: 97815 IUPAC Name: 3-methylpent-1-en-4-yn-3-ol SMILES: CC(O)(C=C)C#C
| PubChem CID | 97815 |
|---|---|
| CAS | 3230-69-1 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD01709006 |
| SMILES | CC(O)(C=C)C#C |
| Synonym | 3-methyl-1-penten-4-yn-3-ol,1-penten-4-yn-3-ol, 3-methyl,ethynyl methyl vinyl carbinol,3-methyl-pent-4-en-1-yn-3-ol,3-methyl pent-4-en-l-yn-3-0l,acmc-209hsd,4-01-00-02309 beilstein handbook reference,ksc496k7h,wln: 1uu1xq1&1u1,3-methyl-4-penten-1-yn-3-ol |
| IUPAC Name | 3-methylpent-1-en-4-yn-3-ol |
| InChI Key | VBATUBQIYXCZPA-UHFFFAOYNA-N |
| Molecular Formula | C6H8O |
Bis(2,4-pentanedionato)vanadium(IV) Oxide 95.0+%, TCI America™
CAS: 3153-26-2 Molecular Formula: C10H14O5V Molecular Weight (g/mol): 265.16 MDL Number: MFCD00000032 InChI Key: JFHJZWAQYMGNBE-SUKNRPLKSA-L Synonym: vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide PubChem CID: 131674261 IUPAC Name: oxovanadiumbis(ylium) bis((2Z)-4-oxopent-2-en-2-olate) SMILES: O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 131674261 |
|---|---|
| CAS | 3153-26-2 |
| Molecular Weight (g/mol) | 265.16 |
| MDL Number | MFCD00000032 |
| SMILES | O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide |
| IUPAC Name | oxovanadiumbis(ylium) bis((2Z)-4-oxopent-2-en-2-olate) |
| InChI Key | JFHJZWAQYMGNBE-SUKNRPLKSA-L |
| Molecular Formula | C10H14O5V |
3-Nonen-2-one 96.0+%, TCI America™
CAS: 14309-57-0 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.23 MDL Number: MFCD00010241 InChI Key: HDKLIZDXVUCLHQ-BQYQJAHWSA-N Synonym: 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi PubChem CID: 5317045 IUPAC Name: (3E)-non-3-en-2-one SMILES: CCCCC\C=C\C(C)=O
| PubChem CID | 5317045 |
|---|---|
| CAS | 14309-57-0 |
| Molecular Weight (g/mol) | 140.23 |
| MDL Number | MFCD00010241 |
| SMILES | CCCCC\C=C\C(C)=O |
| Synonym | 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi |
| IUPAC Name | (3E)-non-3-en-2-one |
| InChI Key | HDKLIZDXVUCLHQ-BQYQJAHWSA-N |
| Molecular Formula | C9H16O |
Methylionone (mixture of alpha- and beta-, predominantly alpha-n-isomer) 80.0+%, TCI America™
CAS: 7779-30-8 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00031478 InChI Key: VPKMGDRERYMTJX-CMDGGOBGSA-N PubChem CID: 5371084 IUPAC Name: (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one SMILES: CCC(=O)C=CC1C(=CCCC1(C)C)C
| PubChem CID | 5371084 |
|---|---|
| CAS | 7779-30-8 |
| Molecular Weight (g/mol) | 206.329 |
| MDL Number | MFCD00031478 |
| SMILES | CCC(=O)C=CC1C(=CCCC1(C)C)C |
| IUPAC Name | (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
| InChI Key | VPKMGDRERYMTJX-CMDGGOBGSA-N |
| Molecular Formula | C14H22O |
3-Methyl-3-penten-2-one 95.0+%, TCI America™
CAS: 565-62-8 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00151839 InChI Key: ZAMCMCQRTZKGDX-SNAWJCMRSA-N Synonym: 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene PubChem CID: 5364579 IUPAC Name: (E)-3-methylpent-3-en-2-one SMILES: CC=C(C)C(=O)C
| PubChem CID | 5364579 |
|---|---|
| CAS | 565-62-8 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00151839 |
| SMILES | CC=C(C)C(=O)C |
| Synonym | 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene |
| IUPAC Name | (E)-3-methylpent-3-en-2-one |
| InChI Key | ZAMCMCQRTZKGDX-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
2-Octen-4-one 96.0+%, TCI America™
CAS: 4643-27-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00061023 InChI Key: FMDLEUPBHMCPQV-GQCTYLIASA-N Synonym: 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one PubChem CID: 5365891 IUPAC Name: (E)-oct-2-en-4-one SMILES: CCCCC(=O)C=CC
| PubChem CID | 5365891 |
|---|---|
| CAS | 4643-27-0 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00061023 |
| SMILES | CCCCC(=O)C=CC |
| Synonym | 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one |
| IUPAC Name | (E)-oct-2-en-4-one |
| InChI Key | FMDLEUPBHMCPQV-GQCTYLIASA-N |
| Molecular Formula | C8H14O |
4-Butylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 70568-60-4 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD01321147 InChI Key: NUANGSLQWFBVEH-UHFFFAOYSA-N PubChem CID: 4132186 IUPAC Name: 4-butylcyclohexan-1-ol SMILES: CCCCC1CCC(CC1)O
| PubChem CID | 4132186 |
|---|---|
| CAS | 70568-60-4 |
| Molecular Weight (g/mol) | 156.269 |
| MDL Number | MFCD01321147 |
| SMILES | CCCCC1CCC(CC1)O |
| IUPAC Name | 4-butylcyclohexan-1-ol |
| InChI Key | NUANGSLQWFBVEH-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
4-tert-Butylcalix[4]arene 98.0+%, TCI America™
CAS: 60705-62-6 Molecular Formula: C44H56O4 Molecular Weight (g/mol): 648.93 MDL Number: MFCD00066280 InChI Key: NVKLTRSBZLYZHK-UHFFFAOYSA-N Synonym: 4-tert-butylcalix 4 arene,tetra-tert-butyl tetrahydroxy calix 4 arene,5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene,4-t-butylcalix 4 arene,tetratert-butyl ? tetrol,p-tert-butylcalix 4 arene,4-tert-butylcalix 4 arene 5g,ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17, PubChem CID: 335377 IUPAC Name: 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol SMILES: CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1
| PubChem CID | 335377 |
|---|---|
| CAS | 60705-62-6 |
| Molecular Weight (g/mol) | 648.93 |
| MDL Number | MFCD00066280 |
| SMILES | CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1 |
| Synonym | 4-tert-butylcalix 4 arene,tetra-tert-butyl tetrahydroxy calix 4 arene,5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene,4-t-butylcalix 4 arene,tetratert-butyl ? tetrol,p-tert-butylcalix 4 arene,4-tert-butylcalix 4 arene 5g,ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17, |
| IUPAC Name | 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol |
| InChI Key | NVKLTRSBZLYZHK-UHFFFAOYSA-N |
| Molecular Formula | C44H56O4 |