3-bromobut-2-enyl(diphenyl)borane

C16H16BBr — CID 88514922

IUPAC3-bromobut-2-enyl(diphenyl)borane
SMILESCC(Br)=CCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16BBr/c1-14(18)12-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyULWBUDPCVGPZRH-UHFFFAOYSA-N
MW299.02 g/mol
LogP3.59
Rot. Bonds4

About 3-bromobut-2-enyl(diphenyl)borane

3-bromobut-2-enyl(diphenyl)borane (PubChem CID 88514922) has the molecular formula C16H16BBr and a molecular weight of 299.02 g/mol. Its IUPAC name is 3-bromobut-2-enyl(diphenyl)borane.

Molecular Properties

Compound Name3-bromobut-2-enyl(diphenyl)borane
PubChem CID88514922
Molecular FormulaC16H16BBr
Molecular Weight299.02 g/mol
Exact Mass298.05
IUPAC Name3-bromobut-2-enyl(diphenyl)borane
SMILESCC(Br)=CCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16BBr/c1-14(18)12-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyULWBUDPCVGPZRH-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.02
LogP ≤ 53.59
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

Triphenylborane
CID 70400
Dibutyldiphenylstannane
CID 80932
Dimethyldiphenyltin
CID 11130460
Borate(1-), butyltriphenyl-, magnesium chloride (1:1:1), (T-4)-
CID 138397718
Stannane, diethyldiphenyl-
CID 3014626
Plumbane, dimethyldiphenyl
CID 3016327
Dimethyl(diphenyl)germane
CID 12672256
Diallyldiphenylstannane
CID 426910
Methyl-diphenyl-prop-1-en-2-ylphosphanium
CID 4055075
Triphenylbutylborate
CID 10508044
((Z)-1-Methyl-propenyl)-diphenyl-phosphane
CID 21770996
Bromodiphenylborane
CID 5325047

Frequently Asked Questions

What is the IUPAC name of 3-bromobut-2-enyl(diphenyl)borane?
The IUPAC name of 3-bromobut-2-enyl(diphenyl)borane (CID 88514922) is 3-bromobut-2-enyl(diphenyl)borane.
What is the SMILES notation for 3-bromobut-2-enyl(diphenyl)borane?
The canonical SMILES for 3-bromobut-2-enyl(diphenyl)borane is CC(Br)=CCB(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromobut-2-enyl(diphenyl)borane?
The InChIKey is ULWBUDPCVGPZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BBr/c1-14(18)12-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3.
What are the key properties of 3-bromobut-2-enyl(diphenyl)borane?
3-bromobut-2-enyl(diphenyl)borane has a molecular weight of 299.02 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobut-2-enyl(diphenyl)borane is sourced from PubChem (CID 88514922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).