lithium tributyl-[(E)-hex-1-enyl]boranuide

C18H38BLi — CID 23668467

IUPAClithium tributyl-[(E)-hex-1-enyl]boranuide
SMILESCCCC/C=C/[B-](CCCC)(CCCC)CCCC.[Li+]
InChIInChI=1S/C18H38B.Li/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h14,18H,5-13,15-17H2,1-4H3;/q-1;+1/b18-14+;
InChIKeyHXXOBSWVVSDRKU-LSJACRKWSA-N
MW272.25 g/mol
LogP4.13
Rot. Bonds13

About lithium tributyl-[(E)-hex-1-enyl]boranuide

lithium tributyl-[(E)-hex-1-enyl]boranuide (PubChem CID 23668467) has the molecular formula C18H38BLi and a molecular weight of 272.25 g/mol. Its IUPAC name is lithium tributyl-[(E)-hex-1-enyl]boranuide.

Molecular Properties

Compound Namelithium tributyl-[(E)-hex-1-enyl]boranuide
PubChem CID23668467
Molecular FormulaC18H38BLi
Molecular Weight272.25 g/mol
Exact Mass272.32
IUPAC Namelithium tributyl-[(E)-hex-1-enyl]boranuide
SMILESCCCC/C=C/[B-](CCCC)(CCCC)CCCC.[Li+]
InChIInChI=1S/C18H38B.Li/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h14,18H,5-13,15-17H2,1-4H3;/q-1;+1/b18-14+;
InChIKeyHXXOBSWVVSDRKU-LSJACRKWSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.13
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'}

Analyze lithium tributyl-[(E)-hex-1-enyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[(E)-hex-1-enyl]stannane
CID 10406988
tributyl-[(Z)-hex-1-enyl]stannane
CID 10429403
(Hex-1-en-1-yl)bis(3-methylbutan-2-yl)borane
CID 71364285
Tributyl(hex-1-enyl)stannane
CID 85134425
[(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
CID 11085766
bis(1,2-dimethylpropyl)[(1Z)-1-hexenyl]borane
CID 12427704
dihexyl-[(E)-oct-1-enyl]borane
CID 12885182
di(hexan-3-yl)-[(E)-oct-1-enyl]borane
CID 12885198
Dibutyl(dodeca-5,6-dien-5-yl)borane
CID 86227091
lithium tri(butan-2-yl)-[(E)-hex-1-enyl]boranuide
CID 134903295
lithium [(E)-hex-1-enyl]-bis(3-methylbutan-2-yl)borane
CID 134904538
Tributyl(hex-5-enyl)stannane
CID 14708912

Frequently Asked Questions

What is the IUPAC name of lithium tributyl-[(E)-hex-1-enyl]boranuide?
The IUPAC name of lithium tributyl-[(E)-hex-1-enyl]boranuide (CID 23668467) is lithium tributyl-[(E)-hex-1-enyl]boranuide.
What is the SMILES notation for lithium tributyl-[(E)-hex-1-enyl]boranuide?
The canonical SMILES for lithium tributyl-[(E)-hex-1-enyl]boranuide is CCCC/C=C/[B-](CCCC)(CCCC)CCCC.[Li+].
What is the InChIKey of lithium tributyl-[(E)-hex-1-enyl]boranuide?
The InChIKey is HXXOBSWVVSDRKU-LSJACRKWSA-N. The full InChI is InChI=1S/C18H38B.Li/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h14,18H,5-13,15-17H2,1-4H3;/q-1;+1/b18-14+;.
What are the key properties of lithium tributyl-[(E)-hex-1-enyl]boranuide?
lithium tributyl-[(E)-hex-1-enyl]boranuide has a molecular weight of 272.25 g/mol, XLogP of 4.13, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tributyl-[(E)-hex-1-enyl]boranuide is sourced from PubChem (CID 23668467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).