lithium tributyl(oct-1-ynyl)boranuide

C20H40BLi — CID 135048224

IUPAClithium tributyl(oct-1-ynyl)boranuide
SMILESCCCCCCC#C[B-](CCCC)(CCCC)CCCC.[Li+]
InChIInChI=1S/C20H40B.Li/c1-5-9-13-14-15-16-20-21(17-10-6-2,18-11-7-3)19-12-8-4;/h5-15,17-19H2,1-4H3;/q-1;+1
InChIKeyRVBRFQQMCSAMMH-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.35
Rot. Bonds13

About lithium tributyl(oct-1-ynyl)boranuide

lithium tributyl(oct-1-ynyl)boranuide (PubChem CID 135048224) has the molecular formula C20H40BLi and a molecular weight of 298.29 g/mol. Its IUPAC name is lithium tributyl(oct-1-ynyl)boranuide.

Molecular Properties

Compound Namelithium tributyl(oct-1-ynyl)boranuide
PubChem CID135048224
Molecular FormulaC20H40BLi
Molecular Weight298.29 g/mol
Exact Mass298.34
IUPAC Namelithium tributyl(oct-1-ynyl)boranuide
SMILESCCCCCCC#C[B-](CCCC)(CCCC)CCCC.[Li+]
InChIInChI=1S/C20H40B.Li/c1-5-9-13-14-15-16-20-21(17-10-6-2,18-11-7-3)19-12-8-4;/h5-15,17-19H2,1-4H3;/q-1;+1
InChIKeyRVBRFQQMCSAMMH-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.35
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium tributyl(oct-1-ynyl)boranuide?
The IUPAC name of lithium tributyl(oct-1-ynyl)boranuide (CID 135048224) is lithium tributyl(oct-1-ynyl)boranuide.
What is the SMILES notation for lithium tributyl(oct-1-ynyl)boranuide?
The canonical SMILES for lithium tributyl(oct-1-ynyl)boranuide is CCCCCCC#C[B-](CCCC)(CCCC)CCCC.[Li+].
What is the InChIKey of lithium tributyl(oct-1-ynyl)boranuide?
The InChIKey is RVBRFQQMCSAMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40B.Li/c1-5-9-13-14-15-16-20-21(17-10-6-2,18-11-7-3)19-12-8-4;/h5-15,17-19H2,1-4H3;/q-1;+1.
What are the key properties of lithium tributyl(oct-1-ynyl)boranuide?
lithium tributyl(oct-1-ynyl)boranuide has a molecular weight of 298.29 g/mol, XLogP of 4.35, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tributyl(oct-1-ynyl)boranuide is sourced from PubChem (CID 135048224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).