2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate

C24H24O2SSi — CID 102034522

IUPAC2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCS[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2SSi/c1-20(2)24(25)26-18-19-27-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17H,1,18-19H2,2H3
InChIKeySRDQVPQBRDNOKJ-UHFFFAOYSA-N
MW404.61 g/mol
LogP3.51
Rot. Bonds8

About 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate

2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate (PubChem CID 102034522) has the molecular formula C24H24O2SSi and a molecular weight of 404.61 g/mol. Its IUPAC name is 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate
PubChem CID102034522
Molecular FormulaC24H24O2SSi
Molecular Weight404.61 g/mol
Exact Mass404.13
IUPAC Name2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCS[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2SSi/c1-20(2)24(25)26-18-19-27-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17H,1,18-19H2,2H3
InChIKeySRDQVPQBRDNOKJ-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.61
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)sulfanylethyl 2-methylprop-2-enoate
CID 165383428
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
[methoxy(diphenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629625
3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate
CID 151665095
2-[2-ethenoxyethoxy(diphenyl)silyl]oxyethyl 2-methylprop-2-enoate
CID 164838654
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652

Frequently Asked Questions

What is the IUPAC name of 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate (CID 102034522) is 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCS[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate?
The InChIKey is SRDQVPQBRDNOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2SSi/c1-20(2)24(25)26-18-19-27-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17H,1,18-19H2,2H3.
What are the key properties of 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate?
2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate has a molecular weight of 404.61 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 102034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).