[dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate

C11H24O6SSi — CID 123207975

IUPAC[dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate
SMILESCO[Si](C)(COC(=O)C(C)CSCC(O)CO)OC
InChIInChI=1S/C11H24O6SSi/c1-9(6-18-7-10(13)5-12)11(14)17-8-19(4,15-2)16-3/h9-10,12-13H,5-8H2,1-4H3
InChIKeyJYFISIMFZHYSCL-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.16
Rot. Bonds10

About [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate

[dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate (PubChem CID 123207975) has the molecular formula C11H24O6SSi and a molecular weight of 312.46 g/mol. Its IUPAC name is [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate.

Molecular Properties

Compound Name[dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate
PubChem CID123207975
Molecular FormulaC11H24O6SSi
Molecular Weight312.46 g/mol
Exact Mass312.11
IUPAC Name[dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate
SMILESCO[Si](C)(COC(=O)C(C)CSCC(O)CO)OC
InChIInChI=1S/C11H24O6SSi/c1-9(6-18-7-10(13)5-12)11(14)17-8-19(4,15-2)16-3/h9-10,12-13H,5-8H2,1-4H3
InChIKeyJYFISIMFZHYSCL-UHFFFAOYSA-N
XLogP0.16
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate?
The IUPAC name of [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate (CID 123207975) is [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate.
What is the SMILES notation for [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate?
The canonical SMILES for [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate is CO[Si](C)(COC(=O)C(C)CSCC(O)CO)OC.
What is the InChIKey of [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate?
The InChIKey is JYFISIMFZHYSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6SSi/c1-9(6-18-7-10(13)5-12)11(14)17-8-19(4,15-2)16-3/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate?
[dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate has a molecular weight of 312.46 g/mol, XLogP of 0.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate is sourced from PubChem (CID 123207975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).