methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

C15H23ClO3Si — CID 11370464

IUPACmethyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO3Si/c1-15(2,14(17)18-3)13(19-20(4,5)6)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3
InChIKeyCQPGMAIHWDQGPK-UHFFFAOYSA-N
MW314.89 g/mol
LogP4.43
Rot. Bonds5

About methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (PubChem CID 11370464) has the molecular formula C15H23ClO3Si and a molecular weight of 314.89 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
PubChem CID11370464
Molecular FormulaC15H23ClO3Si
Molecular Weight314.89 g/mol
Exact Mass314.11
IUPAC Namemethyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO3Si/c1-15(2,14(17)18-3)13(19-20(4,5)6)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3
InChIKeyCQPGMAIHWDQGPK-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.89
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 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (CID 11370464) is methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is COC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The InChIKey is CQPGMAIHWDQGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO3Si/c1-15(2,14(17)18-3)13(19-20(4,5)6)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3.
What are the key properties of methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate has a molecular weight of 314.89 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 11370464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).