lithium trimethyl(2-phenylethynyl)silane

C11H13LiSi — CID 14140276

IUPAClithium trimethyl(2-phenylethynyl)silane
SMILESC[Si](C)(C)C#Cc1cc[c-]cc1.[Li+]
InChIInChI=1S/C11H13Si.Li/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h5-8H,1-3H3;/q-1;+1
InChIKeyJGMJKHQDWDLPNR-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.28
Rot. Bonds

About lithium trimethyl(2-phenylethynyl)silane

lithium trimethyl(2-phenylethynyl)silane (PubChem CID 14140276) has the molecular formula C11H13LiSi and a molecular weight of 180.25 g/mol. Its IUPAC name is lithium trimethyl(2-phenylethynyl)silane.

Molecular Properties

Compound Namelithium trimethyl(2-phenylethynyl)silane
PubChem CID14140276
Molecular FormulaC11H13LiSi
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Namelithium trimethyl(2-phenylethynyl)silane
SMILESC[Si](C)(C)C#Cc1cc[c-]cc1.[Li+]
InChIInChI=1S/C11H13Si.Li/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h5-8H,1-3H3;/q-1;+1
InChIKeyJGMJKHQDWDLPNR-UHFFFAOYSA-N
XLogP-0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 trimethyl(2-phenylethynyl)silane?
The IUPAC name of lithium trimethyl(2-phenylethynyl)silane (CID 14140276) is lithium trimethyl(2-phenylethynyl)silane.
What is the SMILES notation for lithium trimethyl(2-phenylethynyl)silane?
The canonical SMILES for lithium trimethyl(2-phenylethynyl)silane is C[Si](C)(C)C#Cc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium trimethyl(2-phenylethynyl)silane?
The InChIKey is JGMJKHQDWDLPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Si.Li/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h5-8H,1-3H3;/q-1;+1.
What are the key properties of lithium trimethyl(2-phenylethynyl)silane?
lithium trimethyl(2-phenylethynyl)silane has a molecular weight of 180.25 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium trimethyl(2-phenylethynyl)silane is sourced from PubChem (CID 14140276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).