CID 172801964

C12H12LiSi — CID 172801964

IUPAC—
SMILES[Li].c1ccc([SiH2]c2ccccc2)cc1
InChIInChI=1S/C12H12Si.Li/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H,13H2;
InChIKeyQZHHVOKDELVCDP-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.43
Rot. Bonds2

About CID 172801964

CID 172801964 (PubChem CID 172801964) has the molecular formula C12H12LiSi and a molecular weight of 191.25 g/mol.

Molecular Properties

Compound NameCID 172801964
PubChem CID172801964
Molecular FormulaC12H12LiSi
Molecular Weight191.25 g/mol
Exact Mass191.09
IUPAC Name—
SMILES[Li].c1ccc([SiH2]c2ccccc2)cc1
InChIInChI=1S/C12H12Si.Li/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H,13H2;
InChIKeyQZHHVOKDELVCDP-UHFFFAOYSA-N
XLogP0.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenylsilane;hydrofluoride
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phenyl-(3-phenylsilylphenyl)silane;phenyl-(4-phenylsilylphenyl)silane
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CID 172741472
bromo(phenyl)silane
CID 102303971
azane;chloro(phenyl)silane
CID 174569948
azane;methyl(phenyl)silane
CID 175135005
CID 159262855
CID 159262855
hydron;methyl(phenyl)silane
CID 174724794
sodium;hydride;hydroxy(phenyl)silane
CID 175585025
2-methylpropyl(phenyl)silane
CID 71366042
bis(4-methylphenyl)silane
CID 4638543
cyclohexa-1,3-dien-1-yl(phenyl)silane
CID 154538324

Frequently Asked Questions

What is the IUPAC name of CID 172801964?
The IUPAC name of CID 172801964 (CID 172801964) is not available.
What is the SMILES notation for CID 172801964?
The canonical SMILES for CID 172801964 is [Li].c1ccc([SiH2]c2ccccc2)cc1.
What is the InChIKey of CID 172801964?
The InChIKey is QZHHVOKDELVCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Si.Li/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H,13H2;.
What are the key properties of CID 172801964?
CID 172801964 has a molecular weight of 191.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172801964 is sourced from PubChem (CID 172801964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).