dicyclohexyl(hexyl)borane

C18H35B — CID 11777478

IUPACdicyclohexyl(hexyl)borane
SMILESCCCCCCB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35B/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18H,2-16H2,1H3
InChIKeyVFFARAWBTUCQDK-UHFFFAOYSA-N
MW262.29 g/mol
LogP6.73
Rot. Bonds7

About dicyclohexyl(hexyl)borane

dicyclohexyl(hexyl)borane (PubChem CID 11777478) has the molecular formula C18H35B and a molecular weight of 262.29 g/mol. Its IUPAC name is dicyclohexyl(hexyl)borane.

Molecular Properties

Compound Namedicyclohexyl(hexyl)borane
PubChem CID11777478
Molecular FormulaC18H35B
Molecular Weight262.29 g/mol
Exact Mass262.28
IUPAC Namedicyclohexyl(hexyl)borane
SMILESCCCCCCB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35B/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18H,2-16H2,1H3
InChIKeyVFFARAWBTUCQDK-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.29
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(hexyl)borane?
The IUPAC name of dicyclohexyl(hexyl)borane (CID 11777478) is dicyclohexyl(hexyl)borane.
What is the SMILES notation for dicyclohexyl(hexyl)borane?
The canonical SMILES for dicyclohexyl(hexyl)borane is CCCCCCB(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl(hexyl)borane?
The InChIKey is VFFARAWBTUCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35B/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18H,2-16H2,1H3.
What are the key properties of dicyclohexyl(hexyl)borane?
dicyclohexyl(hexyl)borane has a molecular weight of 262.29 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(hexyl)borane is sourced from PubChem (CID 11777478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).