[(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane

C17H35B — CID 134978622

IUPAC[(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane
SMILESC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C17H35B/c1-11-16(17(8,9)10)18(14(6)12(2)3)15(7)13(4)5/h11-15H,1-10H3/b16-11+
InChIKeyGAAZFKDPNVNOKX-LFIBNONCSA-N
MW250.28 g/mol
LogP6.11
Rot. Bonds5

About [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane

[(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane (PubChem CID 134978622) has the molecular formula C17H35B and a molecular weight of 250.28 g/mol. Its IUPAC name is [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane
PubChem CID134978622
Molecular FormulaC17H35B
Molecular Weight250.28 g/mol
Exact Mass250.28
IUPAC Name[(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane
SMILESC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C17H35B/c1-11-16(17(8,9)10)18(14(6)12(2)3)15(7)13(4)5/h11-15H,1-10H3/b16-11+
InChIKeyGAAZFKDPNVNOKX-LFIBNONCSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.28
LogP ≤ 56.11
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)-2,2,5-trimethylhex-3-en-3-yl]borane
CID 134903656
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

Frequently Asked Questions

What is the IUPAC name of [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane (CID 134978622) is [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane is C/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C.
What is the InChIKey of [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is GAAZFKDPNVNOKX-LFIBNONCSA-N. The full InChI is InChI=1S/C17H35B/c1-11-16(17(8,9)10)18(14(6)12(2)3)15(7)13(4)5/h11-15H,1-10H3/b16-11+.
What are the key properties of [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane?
[(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 250.28 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 134978622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).