Basic information
- CAS
74499-51-7- Standard SMILES
C=C(C)CCC[C@@H](C)CCOC(=O)C(C)(C)CC- InChIKey
VRVZXMSSFXMGMW-CQSZACIVSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Names & identifiers
- Preferred name
- [(3R)-3,7-dimethyloct-7-enyl] 2,2-dimethylbutanoate
- IUPAC
- [(3R)-3,7-dimethyloct-7-enyl] 2,2-dimethylbutanoate
Database identifiers
- CAS
74499-51-7- PubChem CID
- 3085998
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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