Basic information
- CAS
64727-70-4- Standard SMILES
C/C=C\C(O)CC(C)C- InChIKey
RQAFKZOPSRTJDU-PLNGDYQASA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 2-Hepten-4-ol, 6-methyl-, (2Z)-
- IUPAC
- (Z)-6-methylhept-2-en-4-ol
Names & synonyms
2-Hepten-4-ol, 6-methyl-, (2Z)-64727-70-4RefChem:1063270(Z)-6-methylhept-2-en-4-ol6-Methyl-hept-2-en-4-olRQAFKZOPSRTJDU-PLNGDYQASA-N(2Z)-6-Methyl-2-hepten-4-ol #
Database identifiers
- CAS
64727-70-4- PubChem CID
- 5366232
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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