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
- Formal charge
- 0
- Complexity
- 170
Related reactions
15 records
Linked notes
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