1-Cyclopentyl-1-hexadecanone
Basic information
- CAS
55255-86-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)C1CCCC1- InChIKey
ZQEHAALHHNYDDJ-UHFFFAOYSA-N- Molecular formula
- C21H40O
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.3079159
Names & identifiers
- Preferred name
- 1-Cyclopentyl-1-hexadecanone
- IUPAC
- 1-cyclopentylhexadecan-1-one
- English name
- 1-Cyclopentyl-1-hexadecanone
- Molecular formula
- C21H40O
- Molecular weight
- 308.54
Names & synonyms
55255-86-21-Cyclopentyl-1-hexadecanone1-cyclopentylhexadecan-1-one1-Hexadecanone, 1-cyclopentyl-1-Cyclopentyl-1-hexadecanone #ZQEHAALHHNYDDJ-UHFFFAOYSA-NDTXSID101366799DB-312078
Database identifiers
- CAS
55255-86-2- PubChem CID
- 549696
- DTXSID
DTXSID101366799- Nikkaji
- J114.039F
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 381.4 · 381.4±10.0 °C(Predicted)
- Density
- 0.878 · 0.878±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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