dihexyl(nona-1,2-dien-3-yl)borane

C21H41B — CID 86230776

IUPACdihexyl(nona-1,2-dien-3-yl)borane
SMILESC=C=C(CCCCCC)B(CCCCCC)CCCCCC
InChIInChI=1S/C21H41B/c1-5-9-12-15-18-21(8-4)22(19-16-13-10-6-2)20-17-14-11-7-3/h4-7,9-20H2,1-3H3
InChIKeyGCOUCEKNFBGMRN-UHFFFAOYSA-N
MW304.37 g/mol
LogP7.86
Rot. Bonds16

About dihexyl(nona-1,2-dien-3-yl)borane

dihexyl(nona-1,2-dien-3-yl)borane (PubChem CID 86230776) has the molecular formula C21H41B and a molecular weight of 304.37 g/mol. Its IUPAC name is dihexyl(nona-1,2-dien-3-yl)borane.

Molecular Properties

Compound Namedihexyl(nona-1,2-dien-3-yl)borane
PubChem CID86230776
Molecular FormulaC21H41B
Molecular Weight304.37 g/mol
Exact Mass304.33
IUPAC Namedihexyl(nona-1,2-dien-3-yl)borane
SMILESC=C=C(CCCCCC)B(CCCCCC)CCCCCC
InChIInChI=1S/C21H41B/c1-5-9-12-15-18-21(8-4)22(19-16-13-10-6-2)20-17-14-11-7-3/h4-7,9-20H2,1-3H3
InChIKeyGCOUCEKNFBGMRN-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 57.86
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(nona-1,2-dien-3-yl)borane with MolForge

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

Launch Full Analysis

Related Compounds

dihexyl-[(E)-oct-1-enyl]borane
CID 12885182
di(hexan-3-yl)-[(E)-oct-1-enyl]borane
CID 12885198
Tributyl(nona-1,2-dien-3-yl)stannane
CID 86089506
Dibutyl(dodeca-5,6-dien-5-yl)borane
CID 86227091
Bis(3-methylbutan-2-yl)-oct-1-en-2-ylborane
CID 134903879
Methane;nona-1,2-diene
CID 159006498
CID 173482581
CID 173482581
CID 173506224
CID 173506224
Tris(5-methyl-2-methylidenehex-5-enyl)borane
CID 173868230
Methyl-nonadec-1-en-2-yl-propan-2-ylborane
CID 173964111
Octa-1,2-dien-3-yl(dipentyl)borane
CID 25098675
Dihexyl(oct-1-EN-1-YL)borane
CID 71336105

Frequently Asked Questions

What is the IUPAC name of dihexyl(nona-1,2-dien-3-yl)borane?
The IUPAC name of dihexyl(nona-1,2-dien-3-yl)borane (CID 86230776) is dihexyl(nona-1,2-dien-3-yl)borane.
What is the SMILES notation for dihexyl(nona-1,2-dien-3-yl)borane?
The canonical SMILES for dihexyl(nona-1,2-dien-3-yl)borane is C=C=C(CCCCCC)B(CCCCCC)CCCCCC.
What is the InChIKey of dihexyl(nona-1,2-dien-3-yl)borane?
The InChIKey is GCOUCEKNFBGMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41B/c1-5-9-12-15-18-21(8-4)22(19-16-13-10-6-2)20-17-14-11-7-3/h4-7,9-20H2,1-3H3.
What are the key properties of dihexyl(nona-1,2-dien-3-yl)borane?
dihexyl(nona-1,2-dien-3-yl)borane has a molecular weight of 304.37 g/mol, XLogP of 7.86, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(nona-1,2-dien-3-yl)borane is sourced from PubChem (CID 86230776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).