lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane

C18H29LiO2Si — CID 154622860

IUPAClithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane
SMILESCC[Si](CC)(CC)c1cc(C)c[c-]c1OC1CCCCO1.[Li+]
InChIInChI=1S/C18H29O2Si.Li/c1-5-21(6-2,7-3)17-14-15(4)11-12-16(17)20-18-10-8-9-13-19-18;/h11,14,18H,5-10,13H2,1-4H3;/q-1;+1
InChIKeyWOYNVNDWYQCJKP-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.42
Rot. Bonds6

About lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane

lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane (PubChem CID 154622860) has the molecular formula C18H29LiO2Si and a molecular weight of 312.46 g/mol. Its IUPAC name is lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane.

Molecular Properties

Compound Namelithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane
PubChem CID154622860
Molecular FormulaC18H29LiO2Si
Molecular Weight312.46 g/mol
Exact Mass312.21
IUPAC Namelithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane
SMILESCC[Si](CC)(CC)c1cc(C)c[c-]c1OC1CCCCO1.[Li+]
InChIInChI=1S/C18H29O2Si.Li/c1-5-21(6-2,7-3)17-14-15(4)11-12-16(17)20-18-10-8-9-13-19-18;/h11,14,18H,5-10,13H2,1-4H3;/q-1;+1
InChIKeyWOYNVNDWYQCJKP-UHFFFAOYSA-N
XLogP1.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.42
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)benzene-3-id-1-yl]silane?
The IUPAC name of lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane (CID 154622860) is lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane.
What is the SMILES notation for lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane?
The canonical SMILES for lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane is CC[Si](CC)(CC)c1cc(C)c[c-]c1OC1CCCCO1.[Li+].
What is the InChIKey of lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane?
The InChIKey is WOYNVNDWYQCJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O2Si.Li/c1-5-21(6-2,7-3)17-14-15(4)11-12-16(17)20-18-10-8-9-13-19-18;/h11,14,18H,5-10,13H2,1-4H3;/q-1;+1.
What are the key properties of lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane?
lithium triethyl-[5-methyl-2-(oxan-2-yloxy)benzene-3-id-1-yl]silane has a molecular weight of 312.46 g/mol, XLogP of 1.42, 6 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)benzene-3-id-1-yl]silane is sourced from PubChem (CID 154622860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).