(4-methoxyphenyl)(113C)methyl-trimethylsilane

C11H18OSi — CID 101034579

IUPAC(4-methoxyphenyl)(113C)methyl-trimethylsilane
SMILESCOc1ccc([13CH2][Si](C)(C)C)cc1
InChIInChI=1S/C11H18OSi/c1-12-11-7-5-10(6-8-11)9-13(2,3)4/h5-8H,9H2,1-4H3/i9+1
InChIKeyYZNOHWUDLGWICS-QBZHADDCSA-N
MW195.34 g/mol
LogP3.12
Rot. Bonds3

About (4-methoxyphenyl)(113C)methyl-trimethylsilane

(4-methoxyphenyl)(113C)methyl-trimethylsilane (PubChem CID 101034579) has the molecular formula C11H18OSi and a molecular weight of 195.34 g/mol. Its IUPAC name is (4-methoxyphenyl)(113C)methyl-trimethylsilane.

Molecular Properties

Compound Name(4-methoxyphenyl)(113C)methyl-trimethylsilane
PubChem CID101034579
Molecular FormulaC11H18OSi
Molecular Weight195.34 g/mol
Exact Mass195.12
IUPAC Name(4-methoxyphenyl)(113C)methyl-trimethylsilane
SMILESCOc1ccc([13CH2][Si](C)(C)C)cc1
InChIInChI=1S/C11H18OSi/c1-12-11-7-5-10(6-8-11)9-13(2,3)4/h5-8H,9H2,1-4H3/i9+1
InChIKeyYZNOHWUDLGWICS-QBZHADDCSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)(113C)methyl-trimethylsilane?
The IUPAC name of (4-methoxyphenyl)(113C)methyl-trimethylsilane (CID 101034579) is (4-methoxyphenyl)(113C)methyl-trimethylsilane.
What is the SMILES notation for (4-methoxyphenyl)(113C)methyl-trimethylsilane?
The canonical SMILES for (4-methoxyphenyl)(113C)methyl-trimethylsilane is COc1ccc([13CH2][Si](C)(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)(113C)methyl-trimethylsilane?
The InChIKey is YZNOHWUDLGWICS-QBZHADDCSA-N. The full InChI is InChI=1S/C11H18OSi/c1-12-11-7-5-10(6-8-11)9-13(2,3)4/h5-8H,9H2,1-4H3/i9+1.
What are the key properties of (4-methoxyphenyl)(113C)methyl-trimethylsilane?
(4-methoxyphenyl)(113C)methyl-trimethylsilane has a molecular weight of 195.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)(113C)methyl-trimethylsilane is sourced from PubChem (CID 101034579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).