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

C18H35B — CID 15933159

IUPAC[(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(/C=C/C1CCCCC1)C(C)C(C)C
InChIInChI=1S/C18H35B/c1-14(2)16(5)19(17(6)15(3)4)13-12-18-10-8-7-9-11-18/h12-18H,7-11H2,1-6H3/b13-12+
InChIKeyQMUAOULGEYPFIF-OUKQBFOZSA-N
MW262.29 g/mol
LogP6.25
Rot. Bonds6

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

[(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane (PubChem CID 15933159) has the molecular formula C18H35B and a molecular weight of 262.29 g/mol. Its IUPAC name is [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane
PubChem CID15933159
Molecular FormulaC18H35B
Molecular Weight262.29 g/mol
Exact Mass262.28
IUPAC Name[(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(/C=C/C1CCCCC1)C(C)C(C)C
InChIInChI=1S/C18H35B/c1-14(2)16(5)19(17(6)15(3)4)13-12-18-10-8-7-9-11-18/h12-18H,7-11H2,1-6H3/b13-12+
InChIKeyQMUAOULGEYPFIF-OUKQBFOZSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.29
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane (CID 15933159) is [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane is CC(C)C(C)B(/C=C/C1CCCCC1)C(C)C(C)C.
What is the InChIKey of [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is QMUAOULGEYPFIF-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H35B/c1-14(2)16(5)19(17(6)15(3)4)13-12-18-10-8-7-9-11-18/h12-18H,7-11H2,1-6H3/b13-12+.
What are the key properties of [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane?
[(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 262.29 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexylethenyl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 15933159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).