2-Hexadecanone, 16-phenyl-
Basic information
- CAS
828263-43-0- Standard SMILES
CC(=O)CCCCCCCCCCCCCCc1ccccc1- InChIKey
NWTRBPHNLLSBBD-UHFFFAOYSA-N- Molecular formula
- C22H36O
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.27661577
Overview
2-Hexadecanone, 16-phenyl- has been reported in Piper sanctum and Piper auritum with data available.
Names & identifiers
- Preferred name
- 2-Hexadecanone, 16-phenyl-
- IUPAC
- 16-phenylhexadecan-2-one
Names & synonyms
16-phenylhexadecan-2-one2-Hexadecanone, 16-phenyl-828263-43-0SCHEMBL547835DTXSID50414951AKOS025296107
Database identifiers
- CAS
828263-43-0- PubChem CID
- 5273620
- DTXSID
DTXSID50414951- Nikkaji
- J2.135.575E
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 265
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Related reactions
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Compound notes
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