[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane

C20H21B — CID 14195281

IUPAC[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane
SMILESC1=C(/C=C/B(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C20H21B/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-10,12-17H,1,4-5,11H2/b17-16+
InChIKeyKMMPDZQKZJWXFR-WUKNDPDISA-N
MW272.20 g/mol
LogP3.89
Rot. Bonds4

About [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane

[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane (PubChem CID 14195281) has the molecular formula C20H21B and a molecular weight of 272.20 g/mol. Its IUPAC name is [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane.

Molecular Properties

Compound Name[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane
PubChem CID14195281
Molecular FormulaC20H21B
Molecular Weight272.20 g/mol
Exact Mass272.17
IUPAC Name[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane
SMILESC1=C(/C=C/B(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C20H21B/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-10,12-17H,1,4-5,11H2/b17-16+
InChIKeyKMMPDZQKZJWXFR-WUKNDPDISA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.89
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 [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane?
The IUPAC name of [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane (CID 14195281) is [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane.
What is the SMILES notation for [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane?
The canonical SMILES for [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane is C1=C(/C=C/B(c2ccccc2)c2ccccc2)CCCC1.
What is the InChIKey of [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane?
The InChIKey is KMMPDZQKZJWXFR-WUKNDPDISA-N. The full InChI is InChI=1S/C20H21B/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-10,12-17H,1,4-5,11H2/b17-16+.
What are the key properties of [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane?
[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane has a molecular weight of 272.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane is sourced from PubChem (CID 14195281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).