butyl(dicyclohexyl)borane

C16H31B — CID 5326081

IUPACbutyl(dicyclohexyl)borane
SMILESCCCCB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31B/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3
InChIKeyORGGWUYCDPRPGO-UHFFFAOYSA-N
MW234.24 g/mol
LogP5.95
Rot. Bonds5

About butyl(dicyclohexyl)borane

butyl(dicyclohexyl)borane (PubChem CID 5326081) has the molecular formula C16H31B and a molecular weight of 234.24 g/mol. Its IUPAC name is butyl(dicyclohexyl)borane.

Molecular Properties

Compound Namebutyl(dicyclohexyl)borane
PubChem CID5326081
Molecular FormulaC16H31B
Molecular Weight234.24 g/mol
Exact Mass234.25
IUPAC Namebutyl(dicyclohexyl)borane
SMILESCCCCB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31B/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3
InChIKeyORGGWUYCDPRPGO-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.24
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl(dicyclohexyl)borane?
The IUPAC name of butyl(dicyclohexyl)borane (CID 5326081) is butyl(dicyclohexyl)borane.
What is the SMILES notation for butyl(dicyclohexyl)borane?
The canonical SMILES for butyl(dicyclohexyl)borane is CCCCB(C1CCCCC1)C1CCCCC1.
What is the InChIKey of butyl(dicyclohexyl)borane?
The InChIKey is ORGGWUYCDPRPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31B/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3.
What are the key properties of butyl(dicyclohexyl)borane?
butyl(dicyclohexyl)borane has a molecular weight of 234.24 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dicyclohexyl)borane is sourced from PubChem (CID 5326081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).