3,3-Dimethyl-5-oxohexanoic acid

HCID 11332610CAS 20624-63-9

Basic information

Standard SMILES
CC(=O)CC(C)(C)CC(=O)O
InChIKey
SLBXWQKHHZUDAY-UHFFFAOYSA-N
Molecular formula
C8H14O3
Average molar mass
158.19 g/mol
Monoisotopic mass
158.09429431

Names & identifiers

Preferred name
3,3-Dimethyl-5-oxohexanoic acid
IUPAC
3,3-dimethyl-5-oxohexanoic acid

Names & synonyms

3,3-dimethyl-5-oxohexanoic acid20624-63-9DTXSID40462567RefChem:270385DTXCID30413386Hexanoic acid, 3,3-dimethyl-5-oxo-3,3-dimethyl-5-oxo-hexanoic Acid3,3-dimethyl-5-ketohexanoic acidSCHEMBL45705113,3-dimethyl-5-oxohexanoicacidSLBXWQKHHZUDAY-UHFFFAOYSA-N5-keto-3,3-dimethylhexanoic acid
Show more names
5-keto-3,3-dimethyl-hexanoic acidAKOS004120779EBC-656477EN300-61264

Database identifiers

CAS
20624-63-9
PubChem CID
11332610
DTXSID
DTXSID40462567
Nikkaji
J1.549.508A

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
11

Related reactions

15 records

Linked notes

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