Basic information
- Standard SMILES
CCC(O)CC(O)C(C)C- InChIKey
AUGLSFONVIKZLA-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 2-Methyl-3,5-heptanediol
- IUPAC
- 2-methylheptane-3,5-diol
Names & synonyms
2-methyl-3,5-heptanediolSCHEMBL3688567AUGLSFONVIKZLA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22323945
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81
Related reactions
3 records
Compound notes
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