dihexyl(oct-1-enyl)borane

C20H41B — CID 71336105

IUPACdihexyl(oct-1-enyl)borane
SMILESCCCCCCC=CB(CCCCCC)CCCCCC
InChIInChI=1S/C20H41B/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h17,20H,4-16,18-19H2,1-3H3
InChIKeyQSSZWEPXCUFZIJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP7.71
Rot. Bonds16

About dihexyl(oct-1-enyl)borane

dihexyl(oct-1-enyl)borane (PubChem CID 71336105) has the molecular formula C20H41B and a molecular weight of 292.36 g/mol. Its IUPAC name is dihexyl(oct-1-enyl)borane.

Molecular Properties

Compound Namedihexyl(oct-1-enyl)borane
PubChem CID71336105
Molecular FormulaC20H41B
Molecular Weight292.36 g/mol
Exact Mass292.33
IUPAC Namedihexyl(oct-1-enyl)borane
SMILESCCCCCCC=CB(CCCCCC)CCCCCC
InChIInChI=1S/C20H41B/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h17,20H,4-16,18-19H2,1-3H3
InChIKeyQSSZWEPXCUFZIJ-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 57.71
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'}

Analyze dihexyl(oct-1-enyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dihexyl(oct-1-enyl)borane?
The IUPAC name of dihexyl(oct-1-enyl)borane (CID 71336105) is dihexyl(oct-1-enyl)borane.
What is the SMILES notation for dihexyl(oct-1-enyl)borane?
The canonical SMILES for dihexyl(oct-1-enyl)borane is CCCCCCC=CB(CCCCCC)CCCCCC.
What is the InChIKey of dihexyl(oct-1-enyl)borane?
The InChIKey is QSSZWEPXCUFZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41B/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h17,20H,4-16,18-19H2,1-3H3.
What are the key properties of dihexyl(oct-1-enyl)borane?
dihexyl(oct-1-enyl)borane has a molecular weight of 292.36 g/mol, XLogP of 7.71, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(oct-1-enyl)borane is sourced from PubChem (CID 71336105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).