tricyclohexylborane

C18H33B — CID 565757

IUPACtricyclohexylborane
SMILESC1CCC(B(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C18H33B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2
InChIKeySJXLNIDKIYXLBL-UHFFFAOYSA-N
MW260.27 g/mol
LogP6.48
Rot. Bonds3

About tricyclohexylborane

tricyclohexylborane (PubChem CID 565757) has the molecular formula C18H33B and a molecular weight of 260.27 g/mol. Its IUPAC name is tricyclohexylborane.

Molecular Properties

Compound Nametricyclohexylborane
PubChem CID565757
Molecular FormulaC18H33B
Molecular Weight260.27 g/mol
Exact Mass260.27
IUPAC Nametricyclohexylborane
SMILESC1CCC(B(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C18H33B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2
InChIKeySJXLNIDKIYXLBL-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.27
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tricyclohexylstannane
CID 25729
Tricyclohexylplumbane
CID 4177825
CID 6284880
CID 6284880
Tricyclohexylgermane
CID 6392759
Dicyclohexyl(hexyl)borane
CID 11777478
Tricyclohexyl nickel
CID 129678921
Stannane, tricyclohexyl-
CID 5364545
Tricyclohexyltin ion
CID 13743282
Potassium tricyclohexylboranuide
CID 23721388
Cyano(tricyclohexyl)boranuide
CID 13158031
CID 134903451
CID 134903451
CID 134903467
CID 134903467

Frequently Asked Questions

What is the IUPAC name of tricyclohexylborane?
The IUPAC name of tricyclohexylborane (CID 565757) is tricyclohexylborane.
What is the SMILES notation for tricyclohexylborane?
The canonical SMILES for tricyclohexylborane is C1CCC(B(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of tricyclohexylborane?
The InChIKey is SJXLNIDKIYXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2.
What are the key properties of tricyclohexylborane?
tricyclohexylborane has a molecular weight of 260.27 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexylborane is sourced from PubChem (CID 565757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).