Basic information
- CAS
99328-46-8- Standard SMILES
C=CCC(O)C(C)CC- InChIKey
MQPXBYVFQKTJJZ-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 5-Methyl-1-hepten-4-ol
- IUPAC
- 5-methylhept-1-en-4-ol
Names & synonyms
5-Methyl-1-hepten-4-olRefChem:107307799328-46-85-methylhept-1-en-4-olSCHEMBL621318DTXSID50912745MQPXBYVFQKTJJZ-UHFFFAOYSA-NAKOS0130289301-Hepten-4-ol,5-methyl-,(4R,5S)-
Database identifiers
- CAS
99328-46-8- PubChem CID
- 145341
- DTXSID
DTXSID50912745- EC Number
- 619-424-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 78.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…