[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane

C19H48O6SSi3 — CID 165005930

IUPAC[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCC[Si](C)(OCC)OCC)OCC.CCO[Si](C)(CS)OCC
InChIInChI=1S/C13H32O4Si2.C6H16O2SSi/c1-7-14-18(5,15-8-2)12-11-13-19(6,16-9-3)17-10-4;1-4-7-10(3,6-9)8-5-2/h7-13H2,1-6H3;9H,4-6H2,1-3H3
InChIKeyIYQCBASMFCMDTB-UHFFFAOYSA-N
MW488.91 g/mol
LogP5.27
Rot. Bonds17

About [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane

[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane (PubChem CID 165005930) has the molecular formula C19H48O6SSi3 and a molecular weight of 488.91 g/mol. Its IUPAC name is [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane.

Molecular Properties

Compound Name[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
PubChem CID165005930
Molecular FormulaC19H48O6SSi3
Molecular Weight488.91 g/mol
Exact Mass488.25
IUPAC Name[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCC[Si](C)(OCC)OCC)OCC.CCO[Si](C)(CS)OCC
InChIInChI=1S/C13H32O4Si2.C6H16O2SSi/c1-7-14-18(5,15-8-2)12-11-13-19(6,16-9-3)17-10-4;1-4-7-10(3,6-9)8-5-2/h7-13H2,1-6H3;9H,4-6H2,1-3H3
InChIKeyIYQCBASMFCMDTB-UHFFFAOYSA-N
XLogP5.27
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane?
The IUPAC name of [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane (CID 165005930) is [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane.
What is the SMILES notation for [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane?
The canonical SMILES for [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane is CCO[Si](C)(CCC[Si](C)(OCC)OCC)OCC.CCO[Si](C)(CS)OCC.
What is the InChIKey of [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane?
The InChIKey is IYQCBASMFCMDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O4Si2.C6H16O2SSi/c1-7-14-18(5,15-8-2)12-11-13-19(6,16-9-3)17-10-4;1-4-7-10(3,6-9)8-5-2/h7-13H2,1-6H3;9H,4-6H2,1-3H3.
What are the key properties of [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane?
[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane has a molecular weight of 488.91 g/mol, XLogP of 5.27, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane is sourced from PubChem (CID 165005930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).