bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane

C18H37B — CID 24972487

IUPACbis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane
SMILESCCCCC/C=C/CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-8-9-10-11-12-13-14-19(17(6)15(2)3)18(7)16(4)5/h12-13,15-18H,8-11,14H2,1-7H3/b13-12+
InChIKeyVHJLZXMLGAEXPH-OUKQBFOZSA-N
MW264.31 g/mol
LogP6.71
Rot. Bonds10

About bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane

bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane (PubChem CID 24972487) has the molecular formula C18H37B and a molecular weight of 264.31 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane
PubChem CID24972487
Molecular FormulaC18H37B
Molecular Weight264.31 g/mol
Exact Mass264.30
IUPAC Namebis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane
SMILESCCCCC/C=C/CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-8-9-10-11-12-13-14-19(17(6)15(2)3)18(7)16(4)5/h12-13,15-18H,8-11,14H2,1-7H3/b13-12+
InChIKeyVHJLZXMLGAEXPH-OUKQBFOZSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.31
LogP ≤ 56.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Decene, 2-methyl-, (E)-
CID 5364887
bis(1,2-dimethylpropyl)[(1E)-1-octenyl]borane
CID 11821482
(E)-2-Methylhexadec-4-ene
CID 20344604
3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraene
CID 22768385
(9E)-2,6,11,15-tetramethylhexadeca-2,6,9,14-tetraene
CID 53814378
(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene
CID 54038211
CID 54442023
CID 54442023
3-Methyldec-4-ene
CID 543798
2,5-Dimethylhexene
CID 6433967
4-Decene, 3-methyl-, (E)-
CID 5364642
4-Decene, 2-methyl-, (Z)-
CID 5364884
(Hex-1-en-1-yl)bis(3-methylbutan-2-yl)borane
CID 71364285

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane (CID 24972487) is bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane is CCCCC/C=C/CB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane?
The InChIKey is VHJLZXMLGAEXPH-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H37B/c1-8-9-10-11-12-13-14-19(17(6)15(2)3)18(7)16(4)5/h12-13,15-18H,8-11,14H2,1-7H3/b13-12+.
What are the key properties of bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane?
bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane has a molecular weight of 264.31 g/mol, XLogP of 6.71, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutan-2-yl)-[(E)-oct-2-enyl]borane is sourced from PubChem (CID 24972487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).