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

C18H22O2Si — CID 10957503

IUPACmethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
SMILESCOC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-20-18(19)14-17(15-10-6-4-7-11-15)21(2,3)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyUSGKHHRPOYVVIG-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.49
Rot. Bonds5

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

methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate (PubChem CID 10957503) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
PubChem CID10957503
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Namemethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
SMILESCOC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-20-18(19)14-17(15-10-6-4-7-11-15)21(2,3)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyUSGKHHRPOYVVIG-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.49
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 methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
The IUPAC name of methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate (CID 10957503) is methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate is COC(=O)CC(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
The InChIKey is USGKHHRPOYVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-20-18(19)14-17(15-10-6-4-7-11-15)21(2,3)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate?
methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate has a molecular weight of 298.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate is sourced from PubChem (CID 10957503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).