Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-4-pentenoate
Basic information
- CAS
94135-46-3- Standard SMILES
CCCCOC(=O)CC(C)(O)C(C)=CC1C(C)=CCCC1(C)C- InChIKey
ICPXGSJJLTZHKN-UHFFFAOYSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Names & identifiers
- Preferred name
- Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-4-pentenoate
- IUPAC
- butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
Names & synonyms
ICPXGSJJLTZHKN-UHFFFAOYSA-NDTXSID701136396NS00066464Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-4-pentenoatebutyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
Database identifiers
- CAS
94135-46-3- PubChem CID
- 3023716
- DTXSID
DTXSID701136396
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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