bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane

C18H37B — CID 134903934

IUPACbis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane
SMILESCCCCC/C=C(\C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-9-10-11-12-13-16(6)19(17(7)14(2)3)18(8)15(4)5/h13-15,17-18H,9-12H2,1-8H3/b16-13+
InChIKeyOVDYDSHQYGGXKC-DTQAZKPQSA-N
MW264.31 g/mol
LogP6.64
Rot. Bonds9

About bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane

bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane (PubChem CID 134903934) has the molecular formula C18H37B and a molecular weight of 264.31 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane
PubChem CID134903934
Molecular FormulaC18H37B
Molecular Weight264.31 g/mol
Exact Mass264.30
IUPAC Namebis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane
SMILESCCCCC/C=C(\C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-9-10-11-12-13-16(6)19(17(7)14(2)3)18(8)15(4)5/h13-15,17-18H,9-12H2,1-8H3/b16-13+
InChIKeyOVDYDSHQYGGXKC-DTQAZKPQSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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'}

Analyze bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Di(1-isopropyl-3-methylbut-2-enyl)borane
CID 11310858
(E)-2-Methylhexadec-4-ene
CID 20344604
2,5-Dimethylhexene
CID 6433967
(6E,10Z,14E,18E)-2,10,23-trimethyltetracosa-2,6,10,14,18-pentaene
CID 5496711
(3E,7E,11E,15E)-3,7,11,15,19-pentamethylhenicosa-3,7,11,15-tetraene
CID 168301038
2,4-Dimethylpent-3-en-2-yl-bis(3-methylbutan-2-yl)borane
CID 12498153
2-Cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane
CID 12567889
dihexyl-[(Z)-oct-4-en-4-yl]borane
CID 12885176
dicyclohexyl-[(Z)-2-methyloct-3-en-3-yl]borane
CID 13258659
Tributyl-(6-methylcyclohexen-1-yl)stannane
CID 13442033
bis(1,2-dimethylpropyl)[(1Z)-1-ethyl-1-butenyl]borane
CID 15680552
bis(1,2-dimethylpropyl)[(2E)-2-octenyl]borane
CID 24972487

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane (CID 134903934) is bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane is CCCCC/C=C(\C)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane?
The InChIKey is OVDYDSHQYGGXKC-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H37B/c1-9-10-11-12-13-16(6)19(17(7)14(2)3)18(8)15(4)5/h13-15,17-18H,9-12H2,1-8H3/b16-13+.
What are the key properties of bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane?
bis(3-methylbutan-2-yl)-[(Z)-oct-2-en-2-yl]borane has a molecular weight of 264.31 g/mol, XLogP of 6.64, 9 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)-[(Z)-oct-2-en-2-yl]borane is sourced from PubChem (CID 134903934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).