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

C19H39B — CID 134904010

IUPACbis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane
SMILESCCCC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)C
InChIInChI=1S/C19H39B/c1-10-11-12-13-19(16(6)7)20(17(8)14(2)3)18(9)15(4)5/h13-18H,10-12H2,1-9H3/b19-13+
InChIKeyPYGKFJITKRBUQR-CPNJWEJPSA-N
MW278.33 g/mol
LogP6.89
Rot. Bonds9

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

bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane (PubChem CID 134904010) has the molecular formula C19H39B and a molecular weight of 278.33 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane
PubChem CID134904010
Molecular FormulaC19H39B
Molecular Weight278.33 g/mol
Exact Mass278.31
IUPAC Namebis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane
SMILESCCCC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)C
InChIInChI=1S/C19H39B/c1-10-11-12-13-19(16(6)7)20(17(8)14(2)3)18(9)15(4)5/h13-18H,10-12H2,1-9H3/b19-13+
InChIKeyPYGKFJITKRBUQR-CPNJWEJPSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.33
LogP ≤ 56.89
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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Related Compounds

Dimethylsqualene
CID 129848299
Di(1-isopropyl-3-methylbut-2-enyl)borane
CID 11310858
9-[(E)-but-2-en-2-yl]-2,6,12-trimethyltrideca-2,6,11-triene
CID 57111687
2,6,10,15,19,23,24-Heptamethylpentacosa-2,6,10,14,18,22-hexaene
CID 91217083
2,6,10-Pristatriene
CID 6428641
(Hex-1-en-1-yl)bis(3-methylbutan-2-yl)borane
CID 71364285
(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene
CID 160824925
[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
CID 11085766
tris[(Z)-oct-4-en-4-yl]borane
CID 11121487
bis(1,2-dimethylpropyl)[(1Z)-1-hexenyl]borane
CID 12427704
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

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane (CID 134904010) is bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane is CCCC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane?
The InChIKey is PYGKFJITKRBUQR-CPNJWEJPSA-N. The full InChI is InChI=1S/C19H39B/c1-10-11-12-13-19(16(6)7)20(17(8)14(2)3)18(9)15(4)5/h13-18H,10-12H2,1-9H3/b19-13+.
What are the key properties of bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane?
bis(3-methylbutan-2-yl)-[(Z)-2-methyloct-3-en-3-yl]borane has a molecular weight of 278.33 g/mol, XLogP of 6.89, 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)-2-methyloct-3-en-3-yl]borane is sourced from PubChem (CID 134904010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).