2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate

C22H46O8S2Si2 — CID 59305886

IUPAC2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate
SMILESCO[Si](C)(CCCSCC(C)C(=O)OCCOC(=O)C(C)CSCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C22H46O8S2Si2/c1-19(17-31-13-9-15-33(7,25-3)26-4)21(23)29-11-12-30-22(24)20(2)18-32-14-10-16-34(8,27-5)28-6/h19-20H,9-18H2,1-8H3
InChIKeyHIZFXLINKCOXPL-UHFFFAOYSA-N
MW558.91 g/mol
LogP4.32
Rot. Bonds21

About 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate

2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate (PubChem CID 59305886) has the molecular formula C22H46O8S2Si2 and a molecular weight of 558.91 g/mol. Its IUPAC name is 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate.

Molecular Properties

Compound Name2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate
PubChem CID59305886
Molecular FormulaC22H46O8S2Si2
Molecular Weight558.91 g/mol
Exact Mass558.22
IUPAC Name2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate
SMILESCO[Si](C)(CCCSCC(C)C(=O)OCCOC(=O)C(C)CSCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C22H46O8S2Si2/c1-19(17-31-13-9-15-33(7,25-3)26-4)21(23)29-11-12-30-22(24)20(2)18-32-14-10-16-34(8,27-5)28-6/h19-20H,9-18H2,1-8H3
InChIKeyHIZFXLINKCOXPL-UHFFFAOYSA-N
XLogP4.32
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.91
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol
CID 59435047
2-(aziridin-1-yl)ethyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 54298618
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
CID 23597776
2-methoxyethyl 3-[3-[dimethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 59782863
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088
ethyl 2-methyl-3-pentylsulfanylpropanoate
CID 107746182
[dimethoxy(methyl)silyl]methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate
CID 123207975
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575
2-[3-[2-[bis[2-[bis[3-[2-(3-hexylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]ethyl]amino]ethyl-[3-[2-(3-hexylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 3-hexylsulfanyl-2-methylpropanoate
CID 169068855
dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
CID 58816829
methyl 3-(3-ethoxypropylsulfanyl)-2-methylpropanoate
CID 65419600

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
The IUPAC name of 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate (CID 59305886) is 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate.
What is the SMILES notation for 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
The canonical SMILES for 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate is CO[Si](C)(CCCSCC(C)C(=O)OCCOC(=O)C(C)CSCCC[Si](C)(OC)OC)OC.
What is the InChIKey of 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
The InChIKey is HIZFXLINKCOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O8S2Si2/c1-19(17-31-13-9-15-33(7,25-3)26-4)21(23)29-11-12-30-22(24)20(2)18-32-14-10-16-34(8,27-5)28-6/h19-20H,9-18H2,1-8H3.
What are the key properties of 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate has a molecular weight of 558.91 g/mol, XLogP of 4.32, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate is sourced from PubChem (CID 59305886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).