lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane

C24H33LiO2Si — CID 154622804

IUPAClithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane
SMILESCC[Si](CC)(CC)c1cc(C)cc(-c2[c-]cccc2)c1OC1CCCCO1.[Li+]
InChIInChI=1S/C24H33O2Si.Li/c1-5-27(6-2,7-3)22-18-19(4)17-21(20-13-9-8-10-14-20)24(22)26-23-15-11-12-16-25-23;/h8-10,13,17-18,23H,5-7,11-12,15-16H2,1-4H3;/q-1;+1
InChIKeyUPTRQERVWCARNC-UHFFFAOYSA-N
MW388.55 g/mol
LogP3.09
Rot. Bonds7

About lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane

lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane (PubChem CID 154622804) has the molecular formula C24H33LiO2Si and a molecular weight of 388.55 g/mol. Its IUPAC name is lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane.

Molecular Properties

Compound Namelithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane
PubChem CID154622804
Molecular FormulaC24H33LiO2Si
Molecular Weight388.55 g/mol
Exact Mass388.24
IUPAC Namelithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane
SMILESCC[Si](CC)(CC)c1cc(C)cc(-c2[c-]cccc2)c1OC1CCCCO1.[Li+]
InChIInChI=1S/C24H33O2Si.Li/c1-5-27(6-2,7-3)22-18-19(4)17-21(20-13-9-8-10-14-20)24(22)26-23-15-11-12-16-25-23;/h8-10,13,17-18,23H,5-7,11-12,15-16H2,1-4H3;/q-1;+1
InChIKeyUPTRQERVWCARNC-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane?
The IUPAC name of lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane (CID 154622804) is lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane.
What is the SMILES notation for lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane?
The canonical SMILES for lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane is CC[Si](CC)(CC)c1cc(C)cc(-c2[c-]cccc2)c1OC1CCCCO1.[Li+].
What is the InChIKey of lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane?
The InChIKey is UPTRQERVWCARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O2Si.Li/c1-5-27(6-2,7-3)22-18-19(4)17-21(20-13-9-8-10-14-20)24(22)26-23-15-11-12-16-25-23;/h8-10,13,17-18,23H,5-7,11-12,15-16H2,1-4H3;/q-1;+1.
What are the key properties of lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane?
lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane has a molecular weight of 388.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane is sourced from PubChem (CID 154622804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).