Basic information
- CAS
66997-36-2- Standard SMILES
CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC- InChIKey
OKBQUWUVZGPEQZ-UHFFFAOYSA-N- Molecular formula
- C28H60P+
- Average molar mass
- 427.7 g/mol
- Monoisotopic mass
- 427.44271497
Names & identifiers
- Preferred name
- Phosphonium, tributylhexadecyl-
- IUPAC
- tributyl(hexadecyl)phosphanium
Names & synonyms
CHEMBL110738tributyl(hexadecyl)phosphaniumPhosphonium, tributylhexadecyl-cetyltributylphosphine66997-36-2SCHEMBL997267CHEMBL1180013SCHEMBL27407998SCHEMBL29836389OKBQUWUVZGPEQZ-UHFFFAOYSA-DTXSID70275809tributyl-hexadecylphosphanium bromide
Show more names
BDBM50147565Tributyl-hexadecyl-phosphonium; bromideInChI=1/C28H60P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H3/q+1
Database identifiers
- CAS
66997-36-2- PubChem CID
- 84717
- DTXSID
DTXSID70275809- ChEMBL
CHEMBL110738、CHEMBL1180013- Nikkaji
- J232.000B
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 24
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 277
Related reactions
13 records
Compound notes
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