[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane

C16H33B — CID 11085766

IUPAC[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C/B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5/h11-16H,8-10H2,1-7H3/b12-11+
InChIKeyCWUQHJRQHOYUCO-VAWYXSNFSA-N
MW236.25 g/mol
LogP5.86
Rot. Bonds8

About [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane

[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane (PubChem CID 11085766) has the molecular formula C16H33B and a molecular weight of 236.25 g/mol. Its IUPAC name is [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
PubChem CID11085766
Molecular FormulaC16H33B
Molecular Weight236.25 g/mol
Exact Mass236.27
IUPAC Name[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C/B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5/h11-16H,8-10H2,1-7H3/b12-11+
InChIKeyCWUQHJRQHOYUCO-VAWYXSNFSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.25
LogP ≤ 55.86
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

bis(1,2-dimethylpropyl)[(1E)-1-octenyl]borane
CID 11821482
Hex-1-ene;4-methylpent-1-ene
CID 21184921
(Hex-1-en-1-yl)bis(3-methylbutan-2-yl)borane
CID 71364285
bis(1,2-dimethylpropyl)[(1Z)-1-hexenyl]borane
CID 12427704
[(E)-but-1-enyl]-bis(3-methylbutan-2-yl)borane
CID 13699778
2,3-dimethylbutan-2-yl-bis[(E)-hex-1-enyl]borane
CID 13702206
lithium tributyl-[(E)-hex-1-enyl]boranuide
CID 23668467
bis(1,2-dimethylpropyl)[(2E)-2-octenyl]borane
CID 24972487
bis(1,2-dimethylpropyl)[(2E)-2-heptenyl]borane
CID 24974325
bis(3-methylbutan-2-yl)-[(E)-pent-1-enyl]borane
CID 101871691
bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane
CID 127258248
lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide
CID 134903295

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane (CID 11085766) is [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane is CCCC/C=C/B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is CWUQHJRQHOYUCO-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H33B/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5/h11-16H,8-10H2,1-7H3/b12-11+.
What are the key properties of [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 236.25 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 11085766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).