Methyl 2-acetyl-2-allylpent-4-ene-1-oate
Basic information
- CAS
3666-84-0- Standard SMILES
C=CCC(CC=C)(C(C)=O)C(=O)OC- InChIKey
XUTUUQIIEPJMJI-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- Methyl 2-acetyl-2-allylpent-4-ene-1-oate
- IUPAC
- methyl 2-acetyl-2-prop-2-enylpent-4-enoate
- English name
- methyl 2-acetyl-2-allylpent-4-ene-1-oate
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24294
Names & synonyms
Methyl 2-acetyl-2-allylpent-4-ene-1-oate3666-84-0methyl 2-acetyl-2-allylpent-4-enoateZ8K2HEA7BGEINECS 222-929-2UNII-Z8K2HEA7BGSCHEMBL9723344DTXSID80190115METHYL 2-ACETYL-2-(PROP-2-EN-1-YL)PENT-4-ENOATEXUTUUQIIEPJMJI-UHFFFAOYSA-NNS000300762-ACETYL-2-(2-PROPENYL)-4-PENTENOIC ACID METHYL ESTER
Show more names
2,2-Diallylacetoacetic acid methyl ester2-Allyl-2-acetyl-4-pentenoic acid methyl ester2-Acetyl-2-allyl-4-pentenoic acid methyl ester4-Acetyl-1,6-heptadiene-4-carboxylic acid methyl ester4-Pentenoic acid,2-acetyl-2-(2-propen-1-yl)-, methyl ester
4-PENTENOIC ACID, 2-ACETYL-2-(2-PROPEN-1-YL)-, METHYL ESTER
Database identifiers
- CAS
3666-84-0- PubChem CID
- 77235
- DTXSID
DTXSID80190115- UNII
- Z8K2HEA7BG
- EC Number
- 222-929-2
- Nikkaji
- J24.749I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- FDA UNII
- 8 K2HEA7BG · Z8K2HEA7BG
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Related reactions
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Compound notes
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