Tris(1-ethynylcyclohexyl) borate
Basic information
- CAS
5463-75-2- Standard SMILES
C#CC1(OB(OC2(C#C)CCCCC2)OC2(C#C)CCCCC2)CCCCC1- InChIKey
LHERKSXYIXCMIE-UHFFFAOYSA-N- Molecular formula
- C24H33BO3
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 380.2522751
Names & identifiers
- Preferred name
- Tris(1-ethynylcyclohexyl) borate
- IUPAC
- tris(1-ethynylcyclohexyl) borate
- English name
- Tris(1-ethynylcyclohexyl) borate
- Molecular formula
- C24H33BO3
- Molecular weight
- 380.33
Names & synonyms
tris(1-ethynylcyclohexyl) borate5463-75-2NSC15118SCHEMBL4177350DTXSID70328268NSC-15118AKOS024323647Cyclohexanol, 1-ethynyl-, triester with boric acid (H3BO3)Cyclohexanol, 1-ethynyl-, triester with boric acid (H3BO3) (6CI,9CI)
Database identifiers
- CAS
5463-75-2- PubChem CID
- 408690
- DTXSID
DTXSID70328268
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- Boiling point
- 150 · 150-170 °C(Press: 0.5 Torr)
- Density
- 1.006 g/cm3 · 1.006 g/cm3(Temp: 27 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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