(4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate
Basic information
- CAS
94386-40-0- Standard SMILES
C=C(C)C1CC=C(COC(=O)CC(C)C)CC1- InChIKey
YOKIAMRQWJSVRG-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Overview
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Names & identifiers
- Preferred name
- (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate
- IUPAC
- (4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate
- English name
- [4-(1-methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
94386-40-0(4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate[4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerateEINECS 305-262-2SCHEMBL19919388DTXSID60869236YOKIAMRQWJSVRG-UHFFFAOYSA-N[4-(PROP-1-EN-2-YL)CYCLOHEX-1-EN-1-YL]METHYL 3-METHYLBUTANOATENS00066687EINECS 305-262-2, CID216438, (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate, 94386-40-0(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate3-Methylbutyric acid 4-(1-methylethenyl)-1-cyclohexen-1-ylmethyl ester
Show more names
Butanoic acid, 3-methyl-, [4-(1-methylethenyl)-1-cyclohexen-1-yl]methyl ester
Database identifiers
- CAS
94386-40-0- PubChem CID
- 216438
- DTXSID
DTXSID60869236- EC Number
- 305-262-2
- Nikkaji
- J382.774G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
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Compound notes
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