Organooxygen compounds
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Ethyl 2-Oxocyclohexanecarboxylate 95.0+%, TCI America™
CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O
| PubChem CID | 95543 |
|---|---|
| CAS | 1655-07-8 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00001631 |
| SMILES | CCOC(=O)C1CCCCC1=O |
| Synonym | ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate |
| IUPAC Name | ethyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | FGSGHBPKHFDJOP-UHFFFAOYNA-N |
| Molecular Formula | C9H14O3 |
2-Methoxy-5-methylpyridine 98.0+%, TCI America™
CAS: 13472-56-5 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD08703669 InChI Key: NFQGQMBFMIIIOR-UHFFFAOYSA-N Synonym: 6-Methoxy-3-picoline PubChem CID: 3014746 IUPAC Name: 2-methoxy-5-methylpyridine SMILES: CC1=CN=C(C=C1)OC
| PubChem CID | 3014746 |
|---|---|
| CAS | 13472-56-5 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD08703669 |
| SMILES | CC1=CN=C(C=C1)OC |
| Synonym | 6-Methoxy-3-picoline |
| IUPAC Name | 2-methoxy-5-methylpyridine |
| InChI Key | NFQGQMBFMIIIOR-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Triethyl Orthovalerate 95.0+%, TCI America™
CAS: 919-29-9 Molecular Formula: C11H24O3 Molecular Weight (g/mol): 204.31 MDL Number: MFCD00059383 InChI Key: DIKAUBKIDNXNNW-UHFFFAOYSA-N Synonym: 1,1,1-Triethoxypentane, Orthovaleric Acid Triethyl Ester PubChem CID: 70195 IUPAC Name: 1,1,1-triethoxypentane SMILES: CCCCC(OCC)(OCC)OCC
| PubChem CID | 70195 |
|---|---|
| CAS | 919-29-9 |
| Molecular Weight (g/mol) | 204.31 |
| MDL Number | MFCD00059383 |
| SMILES | CCCCC(OCC)(OCC)OCC |
| Synonym | 1,1,1-Triethoxypentane, Orthovaleric Acid Triethyl Ester |
| IUPAC Name | 1,1,1-triethoxypentane |
| InChI Key | DIKAUBKIDNXNNW-UHFFFAOYSA-N |
| Molecular Formula | C11H24O3 |
tert-Butyl 4-Formylbenzoate 98.0+%, TCI America™
CAS: 65874-27-3 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD01111994 InChI Key: DUNFNBQQWYQKFE-UHFFFAOYSA-N Synonym: 4-Formylbenzoic Acid tert-Butyl Ester, 4-(tert-Butoxycarbonyl)benzaldehyde PubChem CID: 2751588 IUPAC Name: tert-butyl 4-formylbenzoate SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)C=O
| PubChem CID | 2751588 |
|---|---|
| CAS | 65874-27-3 |
| Molecular Weight (g/mol) | 206.241 |
| MDL Number | MFCD01111994 |
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)C=O |
| Synonym | 4-Formylbenzoic Acid tert-Butyl Ester, 4-(tert-Butoxycarbonyl)benzaldehyde |
| IUPAC Name | tert-butyl 4-formylbenzoate |
| InChI Key | DUNFNBQQWYQKFE-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
Trimethyl Orthovalerate 97.0+%, TCI America™
CAS: 13820-09-2 Molecular Formula: C8H18O3 Molecular Weight (g/mol): 162.229 MDL Number: MFCD00008481 InChI Key: XUXVVQKJULMMKX-UHFFFAOYSA-N Synonym: trimethyl orthovalerate,pentane, 1,1,1-trimethoxy,unii-w0x9mom6vz,trimethylorthovalerate,orthovaleric acid, trimethyl ester,ortho-n-valeric acid trimethyl ester,w0x9mom6vz,trimethyl-2-valerate,trimethyl ortho-n-valerate,1,1,1-trimethoxy-pentan PubChem CID: 83755 IUPAC Name: 1,1,1-trimethoxypentane SMILES: CCCCC(OC)(OC)OC
| PubChem CID | 83755 |
|---|---|
| CAS | 13820-09-2 |
| Molecular Weight (g/mol) | 162.229 |
| MDL Number | MFCD00008481 |
| SMILES | CCCCC(OC)(OC)OC |
| Synonym | trimethyl orthovalerate,pentane, 1,1,1-trimethoxy,unii-w0x9mom6vz,trimethylorthovalerate,orthovaleric acid, trimethyl ester,ortho-n-valeric acid trimethyl ester,w0x9mom6vz,trimethyl-2-valerate,trimethyl ortho-n-valerate,1,1,1-trimethoxy-pentan |
| IUPAC Name | 1,1,1-trimethoxypentane |
| InChI Key | XUXVVQKJULMMKX-UHFFFAOYSA-N |
| Molecular Formula | C8H18O3 |
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 |
Diethyl Cyclopentylmalonate 95.0+%, TCI America™
CAS: 18928-91-1 Molecular Formula: C12H20O4 Molecular Weight (g/mol): 228.288 MDL Number: MFCD00059514 InChI Key: WXPOKLNJWFXXQO-UHFFFAOYSA-N Synonym: Cyclopentylmalonic Acid Diethyl Ester PubChem CID: 249269 IUPAC Name: diethyl 2-cyclopentylpropanedioate SMILES: CCOC(=O)C(C1CCCC1)C(=O)OCC
| PubChem CID | 249269 |
|---|---|
| CAS | 18928-91-1 |
| Molecular Weight (g/mol) | 228.288 |
| MDL Number | MFCD00059514 |
| SMILES | CCOC(=O)C(C1CCCC1)C(=O)OCC |
| Synonym | Cyclopentylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-cyclopentylpropanedioate |
| InChI Key | WXPOKLNJWFXXQO-UHFFFAOYSA-N |
| Molecular Formula | C12H20O4 |
3-Chloro-2,2-dimethyl-1-propanol 98.0+%, TCI America™
CAS: 13401-56-4 Molecular Formula: C5H11ClO Molecular Weight (g/mol): 122.592 MDL Number: MFCD00004684 InChI Key: CAZPRAORHCOIHC-UHFFFAOYSA-N PubChem CID: 83407 IUPAC Name: 3-chloro-2,2-dimethylpropan-1-ol SMILES: CC(C)(CO)CCl
| PubChem CID | 83407 |
|---|---|
| CAS | 13401-56-4 |
| Molecular Weight (g/mol) | 122.592 |
| MDL Number | MFCD00004684 |
| SMILES | CC(C)(CO)CCl |
| IUPAC Name | 3-chloro-2,2-dimethylpropan-1-ol |
| InChI Key | CAZPRAORHCOIHC-UHFFFAOYSA-N |
| Molecular Formula | C5H11ClO |
Cyclopentyl Phenyl Ketone 98.0+%, TCI America™
CAS: 5422-88-8 Molecular Formula: C12H14O Molecular Weight (g/mol): 174.24 MDL Number: MFCD00001378 InChI Key: VYDIMQRLNMMJBW-UHFFFAOYSA-N Synonym: cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone PubChem CID: 79464 IUPAC Name: cyclopentyl(phenyl)methanone SMILES: O=C(C1CCCC1)C1=CC=CC=C1
| PubChem CID | 79464 |
|---|---|
| CAS | 5422-88-8 |
| Molecular Weight (g/mol) | 174.24 |
| MDL Number | MFCD00001378 |
| SMILES | O=C(C1CCCC1)C1=CC=CC=C1 |
| Synonym | cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone |
| IUPAC Name | cyclopentyl(phenyl)methanone |
| InChI Key | VYDIMQRLNMMJBW-UHFFFAOYSA-N |
| Molecular Formula | C12H14O |
Cyclopentylmalonic Acid 98.0+%, TCI America™
CAS: 5660-81-1 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00059515 InChI Key: DRHLPIHNSBNMFF-UHFFFAOYSA-N PubChem CID: 231700 IUPAC Name: 2-cyclopentylpropanedioic acid SMILES: C1CCC(C1)C(C(=O)O)C(=O)O
| PubChem CID | 231700 |
|---|---|
| CAS | 5660-81-1 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00059515 |
| SMILES | C1CCC(C1)C(C(=O)O)C(=O)O |
| IUPAC Name | 2-cyclopentylpropanedioic acid |
| InChI Key | DRHLPIHNSBNMFF-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
Methyl 2-Chloroacetoacetate 95.0+%, TCI America™
CAS: 4755-81-1 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.558 MDL Number: MFCD00008757 InChI Key: GYQRIAVRKLRQKP-UHFFFAOYSA-N PubChem CID: 107332 IUPAC Name: methyl 2-chloro-3-oxobutanoate SMILES: CC(=O)C(C(=O)OC)Cl
| PubChem CID | 107332 |
|---|---|
| CAS | 4755-81-1 |
| Molecular Weight (g/mol) | 150.558 |
| MDL Number | MFCD00008757 |
| SMILES | CC(=O)C(C(=O)OC)Cl |
| IUPAC Name | methyl 2-chloro-3-oxobutanoate |
| InChI Key | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
2-(Chloromethyl)-3,5-dioxahex-1-ene 96.0+%, TCI America™
CAS: 105104-40-3 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.575 MDL Number: MFCD00130115 InChI Key: JKHPOPCIKQQRPU-UHFFFAOYSA-N Synonym: 3-Chloro-2-(methoxymethoxy)-1-propene PubChem CID: 10678294 IUPAC Name: 3-chloro-2-(methoxymethoxy)prop-1-ene SMILES: COCOC(=C)CCl
| PubChem CID | 10678294 |
|---|---|
| CAS | 105104-40-3 |
| Molecular Weight (g/mol) | 136.575 |
| MDL Number | MFCD00130115 |
| SMILES | COCOC(=C)CCl |
| Synonym | 3-Chloro-2-(methoxymethoxy)-1-propene |
| IUPAC Name | 3-chloro-2-(methoxymethoxy)prop-1-ene |
| InChI Key | JKHPOPCIKQQRPU-UHFFFAOYSA-N |
| Molecular Formula | C5H9ClO2 |
Dodecanophenone 98.0+%, TCI America™
CAS: 1674-38-0 Molecular Formula: C18H28O Molecular Weight (g/mol): 260.421 MDL Number: MFCD00008967 InChI Key: DJNJZIFFCJTUDS-UHFFFAOYSA-N Synonym: dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 PubChem CID: 74292 IUPAC Name: 1-phenyldodecan-1-one SMILES: CCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 74292 |
|---|---|
| CAS | 1674-38-0 |
| Molecular Weight (g/mol) | 260.421 |
| MDL Number | MFCD00008967 |
| SMILES | CCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 |
| IUPAC Name | 1-phenyldodecan-1-one |
| InChI Key | DJNJZIFFCJTUDS-UHFFFAOYSA-N |
| Molecular Formula | C18H28O |
Metaldehyde 97.0+%, TCI America™
CAS: 108-62-3 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.212 MDL Number: MFCD00134115 InChI Key: GKKDCARASOJPNG-UHFFFAOYSA-N Synonym: metaldehyde,metacetaldehyde,cekumeta,ariotox,halizan,metason,acetaldehyde, tetramer,slug-tox,corry's slug death,metaldehyd PubChem CID: 61021 ChEBI: CHEBI:81931 IUPAC Name: 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane SMILES: CC1OC(OC(OC(O1)C)C)C
| PubChem CID | 61021 |
|---|---|
| CAS | 108-62-3 |
| Molecular Weight (g/mol) | 176.212 |
| ChEBI | CHEBI:81931 |
| MDL Number | MFCD00134115 |
| SMILES | CC1OC(OC(OC(O1)C)C)C |
| Synonym | metaldehyde,metacetaldehyde,cekumeta,ariotox,halizan,metason,acetaldehyde, tetramer,slug-tox,corry's slug death,metaldehyd |
| IUPAC Name | 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane |
| InChI Key | GKKDCARASOJPNG-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
3-Cyanopropionaldehyde Dimethyl Acetal 98.0+%, TCI America™
CAS: 14618-78-1 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.159 MDL Number: MFCD00019883 InChI Key: XJHNCGVHPLDMRK-UHFFFAOYSA-N Synonym: 4,4-dimethoxybutyronitrile,3-cyanopropionaldehyde dimethyl acetal,butanenitrile, 4,4-dimethoxy,3-cyano propionaldehyde dimethyl acetal,3-cyanopropionaldehydedimethylacetal,cyanopropionaldehyde dimethyl acetal,.beta.-cyanopropionaldehyde dimethylacetal,4-dimeth-oxybutyronitrile,acmc-1c7xt,ksc494i0f PubChem CID: 84558 IUPAC Name: 4,4-dimethoxybutanenitrile SMILES: COC(CCC#N)OC
| PubChem CID | 84558 |
|---|---|
| CAS | 14618-78-1 |
| Molecular Weight (g/mol) | 129.159 |
| MDL Number | MFCD00019883 |
| SMILES | COC(CCC#N)OC |
| Synonym | 4,4-dimethoxybutyronitrile,3-cyanopropionaldehyde dimethyl acetal,butanenitrile, 4,4-dimethoxy,3-cyano propionaldehyde dimethyl acetal,3-cyanopropionaldehydedimethylacetal,cyanopropionaldehyde dimethyl acetal,.beta.-cyanopropionaldehyde dimethylacetal,4-dimeth-oxybutyronitrile,acmc-1c7xt,ksc494i0f |
| IUPAC Name | 4,4-dimethoxybutanenitrile |
| InChI Key | XJHNCGVHPLDMRK-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |