methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate

C19H24O2SSi — CID 10904068

IUPACmethyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate
SMILESCOC(=O)C[C@@H](Sc1ccccc1[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H24O2SSi/c1-21-19(20)14-17(15-10-6-5-7-11-15)22-16-12-8-9-13-18(16)23(2,3)4/h5-13,17H,14H2,1-4H3/t17-/m1/s1
InChIKeyKPSVCKHABURODX-QGZVFWFLSA-N
MW344.55 g/mol
LogP4.63
Rot. Bonds6

About methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate

methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate (PubChem CID 10904068) has the molecular formula C19H24O2SSi and a molecular weight of 344.55 g/mol. Its IUPAC name is methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate
PubChem CID10904068
Molecular FormulaC19H24O2SSi
Molecular Weight344.55 g/mol
Exact Mass344.13
IUPAC Namemethyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate
SMILESCOC(=O)C[C@@H](Sc1ccccc1[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H24O2SSi/c1-21-19(20)14-17(15-10-6-5-7-11-15)22-16-12-8-9-13-18(16)23(2,3)4/h5-13,17H,14H2,1-4H3/t17-/m1/s1
InChIKeyKPSVCKHABURODX-QGZVFWFLSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 54.63
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 (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate?
The IUPAC name of methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate (CID 10904068) is methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate.
What is the SMILES notation for methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate?
The canonical SMILES for methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate is COC(=O)C[C@@H](Sc1ccccc1[Si](C)(C)C)c1ccccc1.
What is the InChIKey of methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate?
The InChIKey is KPSVCKHABURODX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24O2SSi/c1-21-19(20)14-17(15-10-6-5-7-11-15)22-16-12-8-9-13-18(16)23(2,3)4/h5-13,17H,14H2,1-4H3/t17-/m1/s1.
What are the key properties of methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate?
methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate has a molecular weight of 344.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-phenyl-3-(2-trimethylsilylphenyl)sulfanylpropanoate is sourced from PubChem (CID 10904068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).