Tris(3,7-dimethylocta-2,6-dien-1-yl) borate
Basic information
- CAS
65416-33-3- Standard SMILES
CC(C)=CCC/C(C)=C/COB(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C- InChIKey
PKMAPPRYHGGQHW-YILJOUTGSA-N- Molecular formula
- C30H51BO3
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.3931257
Names & identifiers
- Preferred name
- Tris(3,7-dimethylocta-2,6-dien-1-yl) borate
- IUPAC
- tris[(2E)-3,7-dimethylocta-2,6-dienyl] borate
Names & synonyms
2,6-Octadien-1-ol, 3,7-dimethyl-, triester with boric acid (H3BO3), (2E,2'E,2''E)-SCHEMBL9011556DTXSID4070320Tris(3,7-dimethylocta-2,6-dien-1-yl) borate
Database identifiers
- CAS
65416-33-3- PubChem CID
- 6504372
- Nikkaji
- J21.145A
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…