5,5-Dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione
Basic information
- CAS
19757-98-3- Standard SMILES
CC(=O)CCC1C(=O)CC(C)(C)CC1=O- InChIKey
WEKUHYLZXWCHEE-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione
- IUPAC
- 5,5-dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione
Names & synonyms
5,5-dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione19757-98-31,3-Cyclohexanedione, 5,5-dimethyl-2-(3-oxobutyl)-starbld0009939DTXSID50461607BBL033052MFCD19691725STL236907AKOS015867085VS-11768CS-0360632
Database identifiers
- CAS
19757-98-3- PubChem CID
- 11298769
- DTXSID
DTXSID50461607- Nikkaji
- J1.833.314G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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