lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane

C13H20ClLiOSi — CID 153432530

IUPAClithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1[c-]cc(Cl)cc1.[Li+]
InChIInChI=1S/C13H20ClOSi.Li/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;/h6,8-9H,10H2,1-5H3;/q-1;+1
InChIKeyOREKGDZLEUXMPI-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.67
Rot. Bonds3

About lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane

lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane (PubChem CID 153432530) has the molecular formula C13H20ClLiOSi and a molecular weight of 262.78 g/mol. Its IUPAC name is lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane
PubChem CID153432530
Molecular FormulaC13H20ClLiOSi
Molecular Weight262.78 g/mol
Exact Mass262.11
IUPAC Namelithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1[c-]cc(Cl)cc1.[Li+]
InChIInChI=1S/C13H20ClOSi.Li/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;/h6,8-9H,10H2,1-5H3;/q-1;+1
InChIKeyOREKGDZLEUXMPI-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane (CID 153432530) is lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1[c-]cc(Cl)cc1.[Li+].
What is the InChIKey of lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?
The InChIKey is OREKGDZLEUXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClOSi.Li/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;/h6,8-9H,10H2,1-5H3;/q-1;+1.
What are the key properties of lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?
lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane has a molecular weight of 262.78 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 153432530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).