Basic information
- CAS
69296-95-3- Standard SMILES
CC(C)CCC1(C)C(=O)CCCC1(C)C- InChIKey
SMKSSVSYZCANSK-UHFFFAOYSA-N- Molecular formula
- C14H26O
- Average molar mass
- 210.36 g/mol
- Monoisotopic mass
- 210.19836545
Names & identifiers
- Preferred name
- 2,3,3-Trimethyl-2-(3-methylbutyl)cyclohexan-1-one
- IUPAC
- 2,3,3-trimethyl-2-(3-methylbutyl)cyclohexan-1-one
- English name
- 2,3,3-Trimethyl-2-(3-methylbutyl)cyclohexanone
- Molecular formula
- C14H26O
- Molecular weight
- 210.36
Names & synonyms
2,3,3-trimethyl-2-(3-methylbutyl)cyclohexan-1-one69296-95-3DTXSID00342316RefChem:243746DTXCID20293396Cyclohexanone, 2,3,3-trimethyl-2-(3-methylbutyl)-2-(3'-Methylbutyl)-2,3,3-trimethylcyclohexanoneSMKSSVSYZCANSK-UHFFFAOYSA-N2-Isopentyl-2,3,3-trimethylcyclohexanone #2,3,3-Trimethyl-2-(3-methylbutyl)cyclohexanone
Database identifiers
- CAS
69296-95-3- PubChem CID
- 580720
- DTXSID
DTXSID00342316- Nikkaji
- J127.381G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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