ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate

C19H24O2Si — CID 11404193

IUPACethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H24O2Si/c1-4-21-19(20)15-18(16-11-7-5-8-12-16)22(2,3)17-13-9-6-10-14-17/h5-14,18H,4,15H2,1-3H3
InChIKeyGFLWKXHTSTZGAX-UHFFFAOYSA-N
MW312.49 g/mol
LogP3.88
Rot. Bonds6

About ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate

ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate (PubChem CID 11404193) has the molecular formula C19H24O2Si and a molecular weight of 312.49 g/mol. Its IUPAC name is ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
PubChem CID11404193
Molecular FormulaC19H24O2Si
Molecular Weight312.49 g/mol
Exact Mass312.15
IUPAC Nameethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H24O2Si/c1-4-21-19(20)15-18(16-11-7-5-8-12-16)22(2,3)17-13-9-6-10-14-17/h5-14,18H,4,15H2,1-3H3
InChIKeyGFLWKXHTSTZGAX-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.88
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 ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate (CID 11404193) is ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate is CCOC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
The InChIKey is GFLWKXHTSTZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2Si/c1-4-21-19(20)15-18(16-11-7-5-8-12-16)22(2,3)17-13-9-6-10-14-17/h5-14,18H,4,15H2,1-3H3.
What are the key properties of ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate has a molecular weight of 312.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate is sourced from PubChem (CID 11404193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).