3-Isopropyl-6,10-dimethylundecane-2-one
Basic information
- Standard SMILES
CC(=O)C(CCC(C)CCCC(C)C)C(C)C- InChIKey
XCMBADWJWNQIAY-UHFFFAOYSA-N- Molecular formula
- C16H32O
- Average molar mass
- 240.42 g/mol
- Monoisotopic mass
- 240.24531564
Names & identifiers
- Preferred name
- 3-Isopropyl-6,10-dimethylundecane-2-one
- IUPAC
- 6,10-dimethyl-3-propan-2-ylundecan-2-one
Names & synonyms
3-ISOPROPYL-6,10-DIMETHYLUNDECANE-2-ONEDTXSID001361041
Database identifiers
- PubChem CID
- 101588366
- DTXSID
DTXSID001361041- Nikkaji
- J354.524E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
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Compound notes
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