bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane

C18H37B — CID 11821482

IUPACbis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane
SMILESCCCCCC/C=C/B(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/h13-18H,8-12H2,1-7H3/b14-13+
InChIKeyUZGBPDKVSUINRI-BUHFOSPRSA-N
MW264.31 g/mol
LogP6.64
Rot. Bonds10

About bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane

bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane (PubChem CID 11821482) 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-1-enyl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane
PubChem CID11821482
Molecular FormulaC18H37B
Molecular Weight264.31 g/mol
Exact Mass264.30
IUPAC Namebis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane
SMILESCCCCCC/C=C/B(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/h13-18H,8-12H2,1-7H3/b14-13+
InChIKeyUZGBPDKVSUINRI-BUHFOSPRSA-N
XLogP6.64
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 ≤ 56.64
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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Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane (CID 11821482) is bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane is CCCCCC/C=C/B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane?
The InChIKey is UZGBPDKVSUINRI-BUHFOSPRSA-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/h13-18H,8-12H2,1-7H3/b14-13+.
What are the key properties of bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane?
bis(3-methylbutan-2-yl)-[(E)-oct-1-enyl]borane has a molecular weight of 264.31 g/mol, XLogP of 6.64, 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-1-enyl]borane is sourced from PubChem (CID 11821482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).