Basic information
- CAS
55956-37-1- Standard SMILES
C/C=C(\O)C(C)C(C)CC- InChIKey
HYWAFUMZYFOODP-TWGQIWQCSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 4,5-Dimethyl-2-hepten-3-ol
- IUPAC
- (Z)-4,5-dimethylhept-2-en-3-ol
Names & synonyms
4,5-DIMETHYL-2-HEPTEN-3-OL55956-37-1RefChem:10694032-Hepten-3-ol, 4,5-dimethyl-4,5-Dimethyl-hept-2-en-3-olHYWAFUMZYFOODP-TWGQIWQCSA-N
Database identifiers
- CAS
55956-37-1- PubChem CID
- 5366237
- Nikkaji
- J113.150H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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