3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate

C27H32O3SSi — CID 143324165

IUPAC3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCS(C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3SSi/c1-23(2)27(28)29-21-14-22-31(3,4)30-32(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3
InChIKeyHFGABBDRDLMUTR-UHFFFAOYSA-N
MW464.70 g/mol
LogP4.16
Rot. Bonds10

About 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate

3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate (PubChem CID 143324165) has the molecular formula C27H32O3SSi and a molecular weight of 464.70 g/mol. Its IUPAC name is 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate
PubChem CID143324165
Molecular FormulaC27H32O3SSi
Molecular Weight464.70 g/mol
Exact Mass464.18
IUPAC Name3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCS(C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3SSi/c1-23(2)27(28)29-21-14-22-31(3,4)30-32(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3
InChIKeyHFGABBDRDLMUTR-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 54.16
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-Triphenylsilylthioethyl methacrylate
CID 102034522
methyl (2E,4Z,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8,8-bis(ethylsulfanyl)octa-2,4-dienoate
CID 134875375
3-[Dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 11476705
3-Methacryloxypropyltriphenylsilane
CID 14141884
3-[[Methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
CID 18739231
1-Triphenylsilyloxyethyl 2-methylprop-2-enoate
CID 20088354
3-Tris[[dimethyl(phenyl)silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 21884901
1-Triphenylsilylpropyl 2-methylprop-2-enoate
CID 21900451
2-Triphenylsilyloxyethyl 2-methylprop-2-enoate
CID 53898995
CID 57560393
CID 57560393
4-[Dimethyl(triphenylsilyloxy)silyl]butyl 2-methylprop-2-enoate
CID 58918436
(4-Methyl-4-triphenylsilylpentyl) 2-methylprop-2-enoate
CID 59266081

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate (CID 143324165) is 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCS(C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate?
The InChIKey is HFGABBDRDLMUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3SSi/c1-23(2)27(28)29-21-14-22-31(3,4)30-32(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20H,1,14,21-22H2,2-4H3.
What are the key properties of 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate?
3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate has a molecular weight of 464.70 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(triphenylsilyloxy)-λ4-sulfanyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 143324165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).