dibutyl(dodeca-5,6-dien-5-yl)borane

C20H39B — CID 86227091

IUPACdibutyl(dodeca-5,6-dien-5-yl)borane
SMILESCCCCCC=C=C(CCCC)B(CCCC)CCCC
InChIInChI=1S/C20H39B/c1-5-9-13-14-15-17-20(16-10-6-2)21(18-11-7-3)19-12-8-4/h15H,5-14,16,18-19H2,1-4H3
InChIKeyKXWAXGPTSRGPNT-UHFFFAOYSA-N
MW290.34 g/mol
LogP7.47
Rot. Bonds14

About dibutyl(dodeca-5,6-dien-5-yl)borane

dibutyl(dodeca-5,6-dien-5-yl)borane (PubChem CID 86227091) has the molecular formula C20H39B and a molecular weight of 290.34 g/mol. Its IUPAC name is dibutyl(dodeca-5,6-dien-5-yl)borane.

Molecular Properties

Compound Namedibutyl(dodeca-5,6-dien-5-yl)borane
PubChem CID86227091
Molecular FormulaC20H39B
Molecular Weight290.34 g/mol
Exact Mass290.31
IUPAC Namedibutyl(dodeca-5,6-dien-5-yl)borane
SMILESCCCCCC=C=C(CCCC)B(CCCC)CCCC
InChIInChI=1S/C20H39B/c1-5-9-13-14-15-17-20(16-10-6-2)21(18-11-7-3)19-12-8-4/h15H,5-14,16,18-19H2,1-4H3
InChIKeyKXWAXGPTSRGPNT-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.34
LogP ≤ 57.47
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'}

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Related Compounds

Tributyl(octa-1,2-dienyl)stannane
CID 12140102
dihexyl-[(Z)-oct-4-en-4-yl]borane
CID 12885176
dihexyl-[(E)-oct-1-enyl]borane
CID 12885182
di(hexan-3-yl)-[(E)-oct-1-enyl]borane
CID 12885198
lithium tributyl-[(E)-hex-1-enyl]boranuide
CID 23668467
Dihexyl(nona-1,2-dien-3-yl)borane
CID 86230776
lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide
CID 134903295
[(Z)-1-bromohex-1-enyl]-dihexylborane
CID 12437611
1-Bromohex-1-enyl(dihexyl)borane
CID 54427256
Methane;nona-1,2-diene
CID 159006498
Dibutyl(ethenyl)borane;dibutyl(hex-1-enyl)borane
CID 160196308
CID 173482581
CID 173482581

Frequently Asked Questions

What is the IUPAC name of dibutyl(dodeca-5,6-dien-5-yl)borane?
The IUPAC name of dibutyl(dodeca-5,6-dien-5-yl)borane (CID 86227091) is dibutyl(dodeca-5,6-dien-5-yl)borane.
What is the SMILES notation for dibutyl(dodeca-5,6-dien-5-yl)borane?
The canonical SMILES for dibutyl(dodeca-5,6-dien-5-yl)borane is CCCCCC=C=C(CCCC)B(CCCC)CCCC.
What is the InChIKey of dibutyl(dodeca-5,6-dien-5-yl)borane?
The InChIKey is KXWAXGPTSRGPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39B/c1-5-9-13-14-15-17-20(16-10-6-2)21(18-11-7-3)19-12-8-4/h15H,5-14,16,18-19H2,1-4H3.
What are the key properties of dibutyl(dodeca-5,6-dien-5-yl)borane?
dibutyl(dodeca-5,6-dien-5-yl)borane has a molecular weight of 290.34 g/mol, XLogP of 7.47, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(dodeca-5,6-dien-5-yl)borane is sourced from PubChem (CID 86227091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).