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

C16H32BLi — CID 134904538

IUPAClithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCC[CH-]/C=C/B(C(C)C(C)C)C(C)C(C)C.[Li+]
InChIInChI=1S/C16H32B.Li/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5;/h10-16H,8-9H2,1-7H3;/q-1;+1/b12-11+;
InChIKeyWDEWWPDGUCZLIL-CALJPSDSSA-N
MW242.18 g/mol
LogP2.68
Rot. Bonds8

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

lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane (PubChem CID 134904538) has the molecular formula C16H32BLi and a molecular weight of 242.18 g/mol. Its IUPAC name is lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Namelithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
PubChem CID134904538
Molecular FormulaC16H32BLi
Molecular Weight242.18 g/mol
Exact Mass242.28
IUPAC Namelithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCC[CH-]/C=C/B(C(C)C(C)C)C(C)C(C)C.[Li+]
InChIInChI=1S/C16H32B.Li/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5;/h10-16H,8-9H2,1-7H3;/q-1;+1/b12-11+;
InChIKeyWDEWWPDGUCZLIL-CALJPSDSSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-en-1-yl)bis(3-methylbutan-2-yl)borane
CID 71364285
[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
CID 11085766
bis(1,2-dimethylpropyl)[(1Z)-1-hexenyl]borane
CID 12427704
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-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
bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane
CID 134903576
bis(2-methylpropyl)-[(E)-oct-1-enyl]borane
CID 134903599

Frequently Asked Questions

What is the IUPAC name of lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane (CID 134904538) is lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane is CCC[CH-]/C=C/B(C(C)C(C)C)C(C)C(C)C.[Li+].
What is the InChIKey of lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is WDEWWPDGUCZLIL-CALJPSDSSA-N. The full InChI is InChI=1S/C16H32B.Li/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5;/h10-16H,8-9H2,1-7H3;/q-1;+1/b12-11+;.
What are the key properties of lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane?
lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 242.18 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 134904538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).