Basic information
- CAS
996-61-2- Standard SMILES
C=CCCC(=O)C(C)(C)O- InChIKey
VYTREIXGHYAEES-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2-Hydroxy-2-methylhept-6-en-3-one
- IUPAC
- 2-hydroxy-2-methylhept-6-en-3-one
Names & synonyms
2-Hydroxy-2-methylhept-6-en-3-one996-61-2DTXSID70338226RefChem:261620DTXCID00289313VYTREIXGHYAEES-UHFFFAOYSA-N2-Hydroxy-2-methyl-6-hepten-3-one #
Database identifiers
- CAS
996-61-2- PubChem CID
- 547729
- DTXSID
DTXSID70338226
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…