methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate

C24H26O2Si — CID 10362075

IUPACmethyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-26-24(25)22(19-13-7-4-8-14-19)23(20-15-9-5-10-16-20)27(2,3)21-17-11-6-12-18-21/h4-18,22-23H,1-3H3
InChIKeyGEYASECMWCAQCT-UHFFFAOYSA-N
MW374.56 g/mol
LogP4.88
Rot. Bonds6

About methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate

methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate (PubChem CID 10362075) has the molecular formula C24H26O2Si and a molecular weight of 374.56 g/mol. Its IUPAC name is methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate
PubChem CID10362075
Molecular FormulaC24H26O2Si
Molecular Weight374.56 g/mol
Exact Mass374.17
IUPAC Namemethyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-26-24(25)22(19-13-7-4-8-14-19)23(20-15-9-5-10-16-20)27(2,3)21-17-11-6-12-18-21/h4-18,22-23H,1-3H3
InChIKeyGEYASECMWCAQCT-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 54.88
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 methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate?
The IUPAC name of methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate (CID 10362075) is methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate?
The canonical SMILES for methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate is COC(=O)C(c1ccccc1)C(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate?
The InChIKey is GEYASECMWCAQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2Si/c1-26-24(25)22(19-13-7-4-8-14-19)23(20-15-9-5-10-16-20)27(2,3)21-17-11-6-12-18-21/h4-18,22-23H,1-3H3.
What are the key properties of methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate?
methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate has a molecular weight of 374.56 g/mol, XLogP of 4.88, 6 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]-2,3-diphenylpropanoate is sourced from PubChem (CID 10362075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).