Organooxygen compounds
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1,3-Adamantanediol 98.0+%, TCI America™
CAS: 5001-18-3 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00154013 InChI Key: MOLCWHCSXCKHAP-UHFFFAOYSA-N Synonym: 1,3-Dihydroxyadamantane PubChem CID: 573829 IUPAC Name: adamantane-1,3-diol SMILES: C1C2CC3(CC1CC(C2)(C3)O)O
| PubChem CID | 573829 |
|---|---|
| CAS | 5001-18-3 |
| Molecular Weight (g/mol) | 168.236 |
| MDL Number | MFCD00154013 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)O)O |
| Synonym | 1,3-Dihydroxyadamantane |
| IUPAC Name | adamantane-1,3-diol |
| InChI Key | MOLCWHCSXCKHAP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2 |
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 |
4-Methoxybutyl Acetate 98.0+%, TCI America™
CAS: 15057-11-1 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD06797048 InChI Key: LMLBDDCTBHGHEO-UHFFFAOYSA-N Synonym: Acetic Acid 4-Methoxybutyl Ester PubChem CID: 21903822 IUPAC Name: 4-methoxybutyl acetate SMILES: COCCCCOC(C)=O
| PubChem CID | 21903822 |
|---|---|
| CAS | 15057-11-1 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD06797048 |
| SMILES | COCCCCOC(C)=O |
| Synonym | Acetic Acid 4-Methoxybutyl Ester |
| IUPAC Name | 4-methoxybutyl acetate |
| InChI Key | LMLBDDCTBHGHEO-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3 |
(R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane 94.0+%, TCI America™
CAS: 70005-89-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.186 MDL Number: MFCD02682966 InChI Key: YYEZYENJAMOWHW-ZCFIWIBFSA-N Synonym: (R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol PubChem CID: 11480522 IUPAC Name: 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol SMILES: CC1(OCC(O1)CCO)C
| PubChem CID | 11480522 |
|---|---|
| CAS | 70005-89-9 |
| Molecular Weight (g/mol) | 146.186 |
| MDL Number | MFCD02682966 |
| SMILES | CC1(OCC(O1)CCO)C |
| Synonym | (R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol |
| IUPAC Name | 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol |
| InChI Key | YYEZYENJAMOWHW-ZCFIWIBFSA-N |
| Molecular Formula | C7H14O3 |
Tropaeolin O, TCI America™
CAS: 547-57-9 Molecular Formula: C12H10N2NaO5S Molecular Weight (g/mol): 317.271 MDL Number: MFCD00007499 InChI Key: YOGUPPQYRWYKGT-IRIIKGHASA-N Synonym: tropaeolin o PubChem CID: 87071197 IUPAC Name: 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium SMILES: C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na]
| PubChem CID | 87071197 |
|---|---|
| CAS | 547-57-9 |
| Molecular Weight (g/mol) | 317.271 |
| MDL Number | MFCD00007499 |
| SMILES | C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na] |
| Synonym | tropaeolin o |
| IUPAC Name | 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium |
| InChI Key | YOGUPPQYRWYKGT-IRIIKGHASA-N |
| Molecular Formula | C12H10N2NaO5S |
(S)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl 98.0+%, TCI America™
CAS: 142128-92-5 Molecular Formula: C24H22O4 Molecular Weight (g/mol): 374.44 MDL Number: MFCD03788935 InChI Key: YIAQRNNJNMLGTP-UHFFFAOYSA-N Synonym: r-2,2'-bis methoxymethoxy-1,1'-binaphthalene,s-2,2'-bis methoxymethoxy-1,1'-binaphthalene,r-+-2,2'-bis methoxymethoxy-1,1'-binaphthyl,2,2'-bis methoxymethoxy-1,1'-binaphthalene,r-2,2'-bis methoxymethoxy-1,1'-binaphthyl,r-+-2,2'-bis methoxymethoxy-1,1'-binaphthalene,1,1'-binaphthalene, 2,2'-bis methoxymethoxy,s---2,2'-bis methoxymethoxy-1,1'-binaphthalene,s-2,2'-bis methoxymethoxy-1,1'-binaphthyl,r-2,2/'-bis methoxymethoxy-1,1/'-binaphthalene PubChem CID: 10959708 IUPAC Name: 2,2'-bis(methoxymethoxy)-1,1'-binaphthalene SMILES: COCOC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1OCOC
| PubChem CID | 10959708 |
|---|---|
| CAS | 142128-92-5 |
| Molecular Weight (g/mol) | 374.44 |
| MDL Number | MFCD03788935 |
| SMILES | COCOC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1OCOC |
| Synonym | r-2,2'-bis methoxymethoxy-1,1'-binaphthalene,s-2,2'-bis methoxymethoxy-1,1'-binaphthalene,r-+-2,2'-bis methoxymethoxy-1,1'-binaphthyl,2,2'-bis methoxymethoxy-1,1'-binaphthalene,r-2,2'-bis methoxymethoxy-1,1'-binaphthyl,r-+-2,2'-bis methoxymethoxy-1,1'-binaphthalene,1,1'-binaphthalene, 2,2'-bis methoxymethoxy,s---2,2'-bis methoxymethoxy-1,1'-binaphthalene,s-2,2'-bis methoxymethoxy-1,1'-binaphthyl,r-2,2/'-bis methoxymethoxy-1,1/'-binaphthalene |
| IUPAC Name | 2,2'-bis(methoxymethoxy)-1,1'-binaphthalene |
| InChI Key | YIAQRNNJNMLGTP-UHFFFAOYSA-N |
| Molecular Formula | C24H22O4 |
3-Acetyl-2-chloropyridine 98.0+%, TCI America™
CAS: 55676-21-6 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD03840751 InChI Key: WIWIOUAFBHZLNQ-UHFFFAOYSA-N PubChem CID: 10942697 IUPAC Name: 1-(2-chloropyridin-3-yl)ethan-1-one SMILES: CC(=O)C1=C(Cl)N=CC=C1
| PubChem CID | 10942697 |
|---|---|
| CAS | 55676-21-6 |
| Molecular Weight (g/mol) | 155.58 |
| MDL Number | MFCD03840751 |
| SMILES | CC(=O)C1=C(Cl)N=CC=C1 |
| IUPAC Name | 1-(2-chloropyridin-3-yl)ethan-1-one |
| InChI Key | WIWIOUAFBHZLNQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO |
5-Acetyluracil 98.0+%, TCI America™
CAS: 6214-65-9 Molecular Formula: C6H6N2O3 Molecular Weight (g/mol): 154.13 MDL Number: MFCD00151968 InChI Key: YNYDWEIQSDFDLK-UHFFFAOYSA-N Synonym: 5-acetyluracil,5-acetylpyrimidine-2,4 1h,3h-dione,1-2,4-dihydroxypyrimidin-5-yl ethanone,2,4 1h,3h-pyrimidinedione, 5-acetyl,5-acetyl-1,3-dihydropyrimidine-2,4-dione,5-acetyl-1,2,3,4-tetrahydropyrimidine-2,4-dione,5-acetyl-2,6-dioxo-1,3-dihydropyrimidine,5-acetyl uracil,acetylpyrimidinedione,zlchem 449 PubChem CID: 234581 IUPAC Name: 5-acetyl-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: CC(=O)C1=CNC(=O)NC1=O
| PubChem CID | 234581 |
|---|---|
| CAS | 6214-65-9 |
| Molecular Weight (g/mol) | 154.13 |
| MDL Number | MFCD00151968 |
| SMILES | CC(=O)C1=CNC(=O)NC1=O |
| Synonym | 5-acetyluracil,5-acetylpyrimidine-2,4 1h,3h-dione,1-2,4-dihydroxypyrimidin-5-yl ethanone,2,4 1h,3h-pyrimidinedione, 5-acetyl,5-acetyl-1,3-dihydropyrimidine-2,4-dione,5-acetyl-1,2,3,4-tetrahydropyrimidine-2,4-dione,5-acetyl-2,6-dioxo-1,3-dihydropyrimidine,5-acetyl uracil,acetylpyrimidinedione,zlchem 449 |
| IUPAC Name | 5-acetyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | YNYDWEIQSDFDLK-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O3 |
2',4',6'-Trihydroxyacetophenone Monohydrate 98.0+%, TCI America™
CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=C(O)C=C(O)C=C1O
| PubChem CID | 68073 |
|---|---|
| CAS | 480-66-0 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:64344 |
| MDL Number | MFCD00002287 |
| SMILES | CC(=O)C1=C(O)C=C(O)C=C1O |
| Synonym | 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone |
| IUPAC Name | 1-(2,4,6-trihydroxyphenyl)ethan-1-one |
| InChI Key | XLEYFDVVXLMULC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
5-Methoxyindole-3-carboxaldehyde 95.0+%, TCI America™
CAS: 10601-19-1 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005623 InChI Key: TUWARWGEOHQXCO-UHFFFAOYSA-N Synonym: 5-methoxyindole-3-carboxaldehyde,3-formyl-5-methoxyindole,5-methoxyindole-3-carboxyaldehyde,5-methoxyindole-3-carbaldehyde,5-methoxyindole-3-aldehyde,5-methoxy-3-formylindole,1h-indole-3-carboxaldehyde, 5-methoxy,5-methoxy-indol-3-aldehyde,unii-63c50zw2d0,5-methoxy-1h-indole-3-carboxaldehyde PubChem CID: 82758 IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde SMILES: COC1=CC=C2NC=C(C=O)C2=C1
| PubChem CID | 82758 |
|---|---|
| CAS | 10601-19-1 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00005623 |
| SMILES | COC1=CC=C2NC=C(C=O)C2=C1 |
| Synonym | 5-methoxyindole-3-carboxaldehyde,3-formyl-5-methoxyindole,5-methoxyindole-3-carboxyaldehyde,5-methoxyindole-3-carbaldehyde,5-methoxyindole-3-aldehyde,5-methoxy-3-formylindole,1h-indole-3-carboxaldehyde, 5-methoxy,5-methoxy-indol-3-aldehyde,unii-63c50zw2d0,5-methoxy-1h-indole-3-carboxaldehyde |
| IUPAC Name | 5-methoxy-1H-indole-3-carbaldehyde |
| InChI Key | TUWARWGEOHQXCO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Malonamide 98.0+%, TCI America™
CAS: 108-13-4 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00008034 InChI Key: WRIRWRKPLXCTFD-UHFFFAOYSA-N Synonym: malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide PubChem CID: 7911 IUPAC Name: propanediamide SMILES: C(C(=O)N)C(=O)N
| PubChem CID | 7911 |
|---|---|
| CAS | 108-13-4 |
| Molecular Weight (g/mol) | 102.093 |
| MDL Number | MFCD00008034 |
| SMILES | C(C(=O)N)C(=O)N |
| Synonym | malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide |
| IUPAC Name | propanediamide |
| InChI Key | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
| Molecular Formula | C3H6N2O2 |
4-Acetyl-4'-methylbiphenyl 98.0+%, TCI America™
CAS: 5748-38-9 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00191374 InChI Key: GNIQQKORSMFYPE-UHFFFAOYSA-N Synonym: 4-Acetyl-4′C-methyldiphenyl PubChem CID: 4301905 IUPAC Name: 1-[4-(4-methylphenyl)phenyl]ethanone SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
| PubChem CID | 4301905 |
|---|---|
| CAS | 5748-38-9 |
| Molecular Weight (g/mol) | 210.276 |
| MDL Number | MFCD00191374 |
| SMILES | CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C |
| Synonym | 4-Acetyl-4′C-methyldiphenyl |
| IUPAC Name | 1-[4-(4-methylphenyl)phenyl]ethanone |
| InChI Key | GNIQQKORSMFYPE-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
Hexyl Methyl Ether 98.0+%, TCI America™
CAS: 4747-07-3 Molecular Formula: C7H16O Molecular Weight (g/mol): 116.20 MDL Number: MFCD00015350 InChI Key: ICBJCVRQDSQPGI-UHFFFAOYSA-N Synonym: hexyl methyl ether,hexane, 1-methoxy,methyl hexyl ether,ether, hexyl methyl,methyl-n-hexyl ether,n-hexyl methyl ether,unii-r99k6anq7t,methoxyhexane,r99k6anq7t,2-oxaoctane PubChem CID: 78484 IUPAC Name: 1-methoxyhexane SMILES: CCCCCCOC
| PubChem CID | 78484 |
|---|---|
| CAS | 4747-07-3 |
| Molecular Weight (g/mol) | 116.20 |
| MDL Number | MFCD00015350 |
| SMILES | CCCCCCOC |
| Synonym | hexyl methyl ether,hexane, 1-methoxy,methyl hexyl ether,ether, hexyl methyl,methyl-n-hexyl ether,n-hexyl methyl ether,unii-r99k6anq7t,methoxyhexane,r99k6anq7t,2-oxaoctane |
| IUPAC Name | 1-methoxyhexane |
| InChI Key | ICBJCVRQDSQPGI-UHFFFAOYSA-N |
| Molecular Formula | C7H16O |
2'-Fluoro-4'-methoxyacetophenone 98.0+%, TCI America™
CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C(C)=O)C(F)=C1
| PubChem CID | 592821 |
|---|---|
| CAS | 74457-86-6 |
| Molecular Weight (g/mol) | 168.17 |
| MDL Number | MFCD00042290 |
| SMILES | COC1=CC=C(C(C)=O)C(F)=C1 |
| Synonym | 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 |
| IUPAC Name | 1-(2-fluoro-4-methoxyphenyl)ethan-1-one |
| InChI Key | PIRRWUMTIBFCCW-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone 98.0+%, TCI America™
CAS: 756-13-8 Molecular Formula: C6F12O Molecular Weight (g/mol): 316.05 MDL Number: MFCD04038343 InChI Key: RMLFHPWPTXWZNJ-UHFFFAOYSA-N Synonym: Perfluoroethyl Perfluoroisopropyl Ketone PubChem CID: 2782408 IUPAC Name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one SMILES: FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F
| PubChem CID | 2782408 |
|---|---|
| CAS | 756-13-8 |
| Molecular Weight (g/mol) | 316.05 |
| MDL Number | MFCD04038343 |
| SMILES | FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F |
| Synonym | Perfluoroethyl Perfluoroisopropyl Ketone |
| IUPAC Name | 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one |
| InChI Key | RMLFHPWPTXWZNJ-UHFFFAOYSA-N |
| Molecular Formula | C6F12O |