methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate

C19H30O3Si — CID 174850101

IUPACmethyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate
SMILESCC[Si](CC)(CC)C(C(C)=O)c1cc(C)ccc1CC(=O)OC
InChIInChI=1S/C19H30O3Si/c1-7-23(8-2,9-3)19(15(5)20)17-12-14(4)10-11-16(17)13-18(21)22-6/h10-12,19H,7-9,13H2,1-6H3
InChIKeyZKEIFROGVGWKBT-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.43
Rot. Bonds8

About methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate

methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate (PubChem CID 174850101) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate
PubChem CID174850101
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Namemethyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate
SMILESCC[Si](CC)(CC)C(C(C)=O)c1cc(C)ccc1CC(=O)OC
InChIInChI=1S/C19H30O3Si/c1-7-23(8-2,9-3)19(15(5)20)17-12-14(4)10-11-16(17)13-18(21)22-6/h10-12,19H,7-9,13H2,1-6H3
InChIKeyZKEIFROGVGWKBT-UHFFFAOYSA-N
XLogP4.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate (CID 174850101) is methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate is CC[Si](CC)(CC)C(C(C)=O)c1cc(C)ccc1CC(=O)OC.
What is the InChIKey of methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate?
The InChIKey is ZKEIFROGVGWKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-7-23(8-2,9-3)19(15(5)20)17-12-14(4)10-11-16(17)13-18(21)22-6/h10-12,19H,7-9,13H2,1-6H3.
What are the key properties of methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate?
methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate has a molecular weight of 334.53 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-2-(2-oxo-1-triethylsilylpropyl)phenyl]acetate is sourced from PubChem (CID 174850101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).