2-Hydroxy-2,4-dimethyl-3-pentanone

HCID 547735CAS 3212-67-7

Basic information

Standard SMILES
CC(C)C(=O)C(C)(C)O
InChIKey
XWJXXDDXZUVWBY-UHFFFAOYSA-N
Molecular formula
C7H14O2
Average molar mass
130.18 g/mol
Monoisotopic mass
130.09937969

Names & identifiers

Preferred name
2-Hydroxy-2,4-dimethyl-3-pentanone
IUPAC
2-hydroxy-2,4-dimethylpentan-3-one
English name
2-Hydroxy-2,4-dimethyl-3-pentanone
Molecular formula
C7H14O2
Molecular weight
130.18

Names & synonyms

2-Hydroxy-2,4-dimethyl-3-pentanone3212-67-7DTXSID503382293-Pentanone, 2-hydroxy-2,4-dimethyl-RefChem:261593DTXCID80289316XWJXXDDXZUVWBY-UHFFFAOYSA-N2-hydroxy-2,4-dimethylpentan-3-one3-Pentanone,2-hydroxy-2,4-dimethyl-SCHEMBL9591982-Hydroxy-2,4-dimethy-3-pentanoneDB-182241

Database identifiers

CAS
3212-67-7
PubChem CID
547735
DTXSID
DTXSID50338229
Nikkaji
J581.570C

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
9

Related reactions

8 records

Linked notes

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