[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate

C11H22O3SSi — CID 91713351

IUPAC[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
SMILESCC(=O)SCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3SSi/c1-9(12)15-8-7-10(13)14-16(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeyVSFLOXJEISJWDL-UHFFFAOYSA-N
MW262.45 g/mol
LogP3.20
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate

[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate (PubChem CID 91713351) has the molecular formula C11H22O3SSi and a molecular weight of 262.45 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
PubChem CID91713351
Molecular FormulaC11H22O3SSi
Molecular Weight262.45 g/mol
Exact Mass262.11
IUPAC Name[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
SMILESCC(=O)SCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3SSi/c1-9(12)15-8-7-10(13)14-16(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeyVSFLOXJEISJWDL-UHFFFAOYSA-N
XLogP3.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
CID 91719359
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
CID 23067022
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
2-trimethylsilylethyl (3S)-7-acetylsulfanyl-3-[tert-butyl(dimethyl)silyl]oxyhept-4-enoate
CID 123987237

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate (CID 91713351) is [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate is CC(=O)SCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate?
The InChIKey is VSFLOXJEISJWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3SSi/c1-9(12)15-8-7-10(13)14-16(5,6)11(2,3)4/h7-8H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate?
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate has a molecular weight of 262.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate is sourced from PubChem (CID 91713351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).