2-Methyloctane-1,3-diol
Basic information
- CAS
5411-89-2- Standard SMILES
CCCCCC(O)C(C)CO- InChIKey
WOOGQXANFLDMBB-UHFFFAOYSA-N- Molecular formula
- C9H20O2
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.14632988
Names & identifiers
- Preferred name
- 2-Methyloctane-1,3-diol
- IUPAC
- 2-methyloctane-1,3-diol
Names & synonyms
5411-89-22-methyloctane-1,3-diolNSC4553SCHEMBL9227777DTXSID40969006NSC-4553
Database identifiers
- CAS
5411-89-2- PubChem CID
- 220975
- DTXSID
DTXSID40969006- Nikkaji
- J2.418.539G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 83.6
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Compound notes
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