tris[(E)-oct-4-en-4-yl]borane

C24H45B — CID 11824128

IUPACtris[(E)-oct-4-en-4-yl]borane
SMILESCCC/C=C(/CCC)B(/C(=C\CCC)CCC)/C(=C\CCC)CCC
InChIInChI=1S/C24H45B/c1-7-13-19-22(16-10-4)25(23(17-11-5)20-14-8-2)24(18-12-6)21-15-9-3/h19-21H,7-18H2,1-6H3/b22-19-,23-20-,24-21-
InChIKeyWIQXUJIPNPNANQ-BUTYCLJRSA-N
MW344.44 g/mol
LogP8.68
Rot. Bonds15

About tris[(E)-oct-4-en-4-yl]borane

tris[(E)-oct-4-en-4-yl]borane (PubChem CID 11824128) has the molecular formula C24H45B and a molecular weight of 344.44 g/mol. Its IUPAC name is tris[(E)-oct-4-en-4-yl]borane.

Molecular Properties

Compound Nametris[(E)-oct-4-en-4-yl]borane
PubChem CID11824128
Molecular FormulaC24H45B
Molecular Weight344.44 g/mol
Exact Mass344.36
IUPAC Nametris[(E)-oct-4-en-4-yl]borane
SMILESCCC/C=C(/CCC)B(/C(=C\CCC)CCC)/C(=C\CCC)CCC
InChIInChI=1S/C24H45B/c1-7-13-19-22(16-10-4)25(23(17-11-5)20-14-8-2)24(18-12-6)21-15-9-3/h19-21H,7-18H2,1-6H3/b22-19-,23-20-,24-21-
InChIKeyWIQXUJIPNPNANQ-BUTYCLJRSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 58.68
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

(6Z,9Z,12Z,15Z,18Z)-1,6,9,12,15,18-Henicosahexaene
CID 11460308
3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
CID 52922084
3,6,9,12,15,18-Heneicosahexaene
CID 6442734
1,6,9,12,15,18-Heneicosahexaene
CID 72970257
cis-3,6,9,12,15,18-Heneicosahexaene
CID 58579149
Henicosa-3,6,9,12,15,18-hexaene
CID 182861
diethyl-[(E)-hex-4-en-3-yl]borane
CID 19096480
3,6,9,12,15-Nonadecapentaene
CID 20470127
5,8,11,14,17-Eicosapentaen
CID 53966595
4,8,12,16-Eicosatetraen
CID 54472715
2,6,10,14,18,22-Tetracosahexaene
CID 57417215
(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene
CID 59965223

Frequently Asked Questions

What is the IUPAC name of tris[(E)-oct-4-en-4-yl]borane?
The IUPAC name of tris[(E)-oct-4-en-4-yl]borane (CID 11824128) is tris[(E)-oct-4-en-4-yl]borane.
What is the SMILES notation for tris[(E)-oct-4-en-4-yl]borane?
The canonical SMILES for tris[(E)-oct-4-en-4-yl]borane is CCC/C=C(/CCC)B(/C(=C\CCC)CCC)/C(=C\CCC)CCC.
What is the InChIKey of tris[(E)-oct-4-en-4-yl]borane?
The InChIKey is WIQXUJIPNPNANQ-BUTYCLJRSA-N. The full InChI is InChI=1S/C24H45B/c1-7-13-19-22(16-10-4)25(23(17-11-5)20-14-8-2)24(18-12-6)21-15-9-3/h19-21H,7-18H2,1-6H3/b22-19-,23-20-,24-21-.
What are the key properties of tris[(E)-oct-4-en-4-yl]borane?
tris[(E)-oct-4-en-4-yl]borane has a molecular weight of 344.44 g/mol, XLogP of 8.68, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(E)-oct-4-en-4-yl]borane is sourced from PubChem (CID 11824128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).