Propanoic acid, 2-methyl-, 3-methyl-3-penten-1-yl ester
Basic information
- CAS
65416-16-2- Standard SMILES
C/C=C(\C)CCOC(=O)C(C)C- InChIKey
VPIXOJWXVMGOMY-WEVVVXLNSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Propanoic acid, 2-methyl-, 3-methyl-3-penten-1-yl ester
- IUPAC
- [(E)-3-methylpent-3-enyl] 2-methylpropanoate
Names & synonyms
65416-16-2EINECS 265-757-33-Methyl-3-penten-1-ol isobutyratePropanoic acid, 2-methyl-, 3-methyl-3-penten-1-yl esterPropanoic acid, 2-methyl-, 3-methyl-3-pentenyl esterRefChem:3747463-Methyl-3-pentenyl isobutyrate3-Methylpent-3-enyl isobutyrate3-methylpent-3-en-1-yl 2-methylpropanoateY2465W7LGJDTXSID0070316VPIXOJWXVMGOMY-WEVVVXLNSA-N
Show more names
3-Methyl-3-penten-1-yl 2-methylpropanoate
Database identifiers
- CAS
65416-16-2- PubChem CID
- 6436992
- UNII
- Y2465W7LGJ
- EC Number
- 265-757-3
- Nikkaji
- J307.402A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanoic acid, 2-methyl-, 3-methyl-3-pentenyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-methyl-, 3-methyl-3-penten-1-yl ester: INACTIVE
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Related reactions
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Compound notes
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