4-Methylpentane-1,2-diol
Basic information
- CAS
24347-54-4- Standard SMILES
CC(C)CC(O)CO- InChIKey
AMOCOBXCNIBDMC-UHFFFAOYSA-N- Molecular formula
- C6H14O2
- Average molar mass
- 118.17 g/mol
- Monoisotopic mass
- 118.09937969
Overview
4-Methyl-1,2-dihydroxypentane is a polyol.
Names & identifiers
- Preferred name
- 4-Methylpentane-1,2-diol
- IUPAC
- 4-methylpentane-1,2-diol
Names & synonyms
4-methylpentane-1,2-diolDTXSID50947198RefChem:1071180DTXCID20137546424347-54-44-Methyl-1,2-dihydroxypentane(S)-4-Methylpentane-1,2-diol72110-08-8EINECS 246-185-3SCHEMBL269857SCHEMBL271355SCHEMBL271356
Show more names
SCHEMBL10644033SCHEMBL18691324CHEBI:179532AKOS021028872EN300-1240354
Database identifiers
- CAS
24347-54-4- PubChem CID
- 91171
- DTXSID
DTXSID50947198- ChEBI
CHEBI:179532- EC Number
- 246-185-3
- Nikkaji
- J803.208D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52.5
Related reactions
10 records
Compound notes
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