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

C17H35B — CID 134903630

IUPAC[(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
SMILESC/C(=C\C(C)(C)C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C17H35B/c1-12(2)15(6)18(16(7)13(3)4)14(5)11-17(8,9)10/h11-13,15-16H,1-10H3/b14-11+
InChIKeyAQINUHARQYDVSQ-SDNWHVSQSA-N
MW250.28 g/mol
LogP6.11
Rot. Bonds5

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

[(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane (PubChem CID 134903630) has the molecular formula C17H35B and a molecular weight of 250.28 g/mol. Its IUPAC name is [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
PubChem CID134903630
Molecular FormulaC17H35B
Molecular Weight250.28 g/mol
Exact Mass250.28
IUPAC Name[(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
SMILESC/C(=C\C(C)(C)C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C17H35B/c1-12(2)15(6)18(16(7)13(3)4)14(5)11-17(8,9)10/h11-13,15-16H,1-10H3/b14-11+
InChIKeyAQINUHARQYDVSQ-SDNWHVSQSA-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

Di(1-isopropyl-3-methylbut-2-enyl)borane
CID 11310858
Tris[(1Z)-1-ethyl-1-buten-1-yl]borane
CID 11139842
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
bis(1,2-dimethylpropyl)[(2E)-2-heptenyl]borane
CID 24974325
[(3E)-4,8-dimethylnona-3,7-dienyl]-bis(3-methylbutan-2-yl)borane
CID 134881357
2,3-Dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane
CID 134890689
dimethyl-[(E)-4-methylhex-2-en-2-yl]borane
CID 134898107
bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane
CID 134903576
[(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
bis(3-methylbutan-2-yl)-[(E)-non-5-en-4-yl]borane
CID 134903608

Frequently Asked Questions

What is the IUPAC name of [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane (CID 134903630) is [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane is C/C(=C\C(C)(C)C)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is AQINUHARQYDVSQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H35B/c1-12(2)15(6)18(16(7)13(3)4)14(5)11-17(8,9)10/h11-13,15-16H,1-10H3/b14-11+.
What are the key properties of [(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
[(Z)-4,4-dimethylpent-2-en-2-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-2-yl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 134903630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).