Basic information
- CAS
95611-20-4- Standard SMILES
CCCCCCCCCCCCCCCCCCOB(OCCCCCCCCCCCCCCCCCC)c1ccccc1- InChIKey
XVGMCEZKIXZSPP-UHFFFAOYSA-N- Molecular formula
- C42H79BO2
- Average molar mass
- 626.9 g/mol
- Monoisotopic mass
- 626.6173119
Names & identifiers
- Preferred name
- Dioctadecyl phenylboronate
- IUPAC
- dioctadecoxy(phenyl)borane
Names & synonyms
95611-20-4DIOCTADECYL PHENYLBORONATEDTXSID90759636
Database identifiers
- CAS
95611-20-4- PubChem CID
- 71331007
- DTXSID
DTXSID90759636
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 37
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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