7,7-Dimethyl-5-ketononatricontane
Basic information
- CAS
93093-36-8- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)CC(=O)CCCC- InChIKey
GSOQYMBFRAPMHB-UHFFFAOYSA-N- Molecular formula
- C41H82O
- Average molar mass
- 591.1 g/mol
- Monoisotopic mass
- 590.63656723
Names & identifiers
- Preferred name
- 7,7-Dimethyl-5-ketononatricontane
- IUPAC
- 7,7-dimethylnonatriacontan-5-one
Names & synonyms
7,7-Dimethyl-5-ketononatricontane93093-36-87,7-dimethylnonatriacontan-5-oneDTXSID50239262
Database identifiers
- CAS
93093-36-8- PubChem CID
- 185233
- DTXSID
DTXSID50239262
Properties
Computed structural properties
- XLogP
- 19.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 36
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 521
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Related reactions
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Compound notes
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