bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane

C19H39B — CID 134903656

IUPACbis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane
SMILESCC(C)/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C19H39B/c1-13(2)12-18(19(9,10)11)20(16(7)14(3)4)17(8)15(5)6/h12-17H,1-11H3/b18-12+
InChIKeyVTIKYYRCQYEHFE-LDADJPATSA-N
MW278.33 g/mol
LogP6.74
Rot. Bonds6

About bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane

bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane (PubChem CID 134903656) has the molecular formula C19H39B and a molecular weight of 278.33 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane
PubChem CID134903656
Molecular FormulaC19H39B
Molecular Weight278.33 g/mol
Exact Mass278.31
IUPAC Namebis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane
SMILESCC(C)/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C19H39B/c1-13(2)12-18(19(9,10)11)20(16(7)14(3)4)17(8)15(5)6/h12-17H,1-11H3/b18-12+
InChIKeyVTIKYYRCQYEHFE-LDADJPATSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.33
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethylpent-2-en-3-yl-bis(3-methylbutan-2-yl)borane
CID 12498152
2,4-Dimethylpent-3-en-2-yl-bis(3-methylbutan-2-yl)borane
CID 12498153
bis(1,2-dimethylpropyl)[(1Z)-1-ethyl-1-butenyl]borane
CID 15680552
2,3-Dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane
CID 134890689
[(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane
CID 134903580
[(Z)-2,2-dimethyloct-3-en-4-yl]-bis(3-methylbutan-2-yl)borane
CID 134903581
[(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
CID 134903630
[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
CID 134903631
bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-3-yl]borane
CID 134903720
bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane
CID 134903721
3,3-dimethylbutan-2-yl-[(Z)-2,5-dimethylhex-3-en-3-yl]-(3-methylbutan-2-yl)borane
CID 134903763
[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane
CID 134903943

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane (CID 134903656) is bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane is CC(C)/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane?
The InChIKey is VTIKYYRCQYEHFE-LDADJPATSA-N. The full InChI is InChI=1S/C19H39B/c1-13(2)12-18(19(9,10)11)20(16(7)14(3)4)17(8)15(5)6/h12-17H,1-11H3/b18-12+.
What are the key properties of bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane?
bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane has a molecular weight of 278.33 g/mol, XLogP of 6.74, 6 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)-2,2,5-trimethylhex-3-en-3-yl]borane is sourced from PubChem (CID 134903656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).