2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate

C18H30O2Si — CID 46190748

IUPAC2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCC[Si](C)(C)C)cc1
InChIInChI=1S/C18H30O2Si/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(19)20-11-12-21(4,5)6/h7-10,14-15H,11-13H2,1-6H3
InChIKeyRPLWYFHASHPJRJ-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.87
Rot. Bonds7

About 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate

2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 46190748) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID46190748
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCC[Si](C)(C)C)cc1
InChIInChI=1S/C18H30O2Si/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(19)20-11-12-21(4,5)6/h7-10,14-15H,11-13H2,1-6H3
InChIKeyRPLWYFHASHPJRJ-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 46190748) is 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OCC[Si](C)(C)C)cc1.
What is the InChIKey of 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is RPLWYFHASHPJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(19)20-11-12-21(4,5)6/h7-10,14-15H,11-13H2,1-6H3.
What are the key properties of 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 306.52 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 46190748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).