Basic information
- Standard SMILES
CC(C)C(O)CC(O)C(C)C- InChIKey
CPHZAYIWNZNICS-UHFFFAOYSA-N- Molecular formula
- C9H20O2
- Average molar mass
- 160.25 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3,5-heptandiol
- IUPAC
- 2,6-dimethylheptane-3,5-diol
Names & synonyms
2,6-dimethyl-3,5-heptandiolSCHEMBL1789330CPHZAYIWNZNICS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 13623112
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 87.7
Related reactions
1 records
Compound notes
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