4-Methylpentane-1,2-diol

HCID 91171CAS 24347-54-4
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Basic information

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

Related reactions

10 records
New reaction record

Linked notes

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