Lithium hydridotris(2-methylpropyl)borate(1-)

C12H27BLi — CID 23694657

IUPAC—
SMILESCC(C)C[B-](CC(C)C)CC(C)C.[Li+]
InChIInChI=1S/C12H27B.Li/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;/q-1;+1
InChIKeyKLWIZUWCJJSLPF-UHFFFAOYSA-N
MW189.10 g/mol
LogP1.45
Rot. Bonds6

About Lithium hydridotris(2-methylpropyl)borate(1-)

Lithium hydridotris(2-methylpropyl)borate(1-) (PubChem CID 23694657) has the molecular formula C12H27BLi and a molecular weight of 189.10 g/mol.

Molecular Properties

Compound NameLithium hydridotris(2-methylpropyl)borate(1-)
PubChem CID23694657
Molecular FormulaC12H27BLi
Molecular Weight189.10 g/mol
Exact Mass189.24
IUPAC Name—
SMILESCC(C)C[B-](CC(C)C)CC(C)C.[Li+]
InChIInChI=1S/C12H27B.Li/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;/q-1;+1
InChIKeyKLWIZUWCJJSLPF-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Lithium hydridotris(2-methylpropyl)borate(1-)?
The IUPAC name of Lithium hydridotris(2-methylpropyl)borate(1-) (CID 23694657) is not available.
What is the SMILES notation for Lithium hydridotris(2-methylpropyl)borate(1-)?
The canonical SMILES for Lithium hydridotris(2-methylpropyl)borate(1-) is CC(C)C[B-](CC(C)C)CC(C)C.[Li+].
What is the InChIKey of Lithium hydridotris(2-methylpropyl)borate(1-)?
The InChIKey is KLWIZUWCJJSLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27B.Li/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;/q-1;+1.
What are the key properties of Lithium hydridotris(2-methylpropyl)borate(1-)?
Lithium hydridotris(2-methylpropyl)borate(1-) has a molecular weight of 189.10 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium hydridotris(2-methylpropyl)borate(1-) is sourced from PubChem (CID 23694657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).