2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane

C31H68O12S4Si4 — CID 159752758

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane
SMILESC1CS[Si]2(C1)OCC1(CO2)CO[Si]2(CCCS2)OC1.CCO[Si](C)(CCCS)OCC.CCO[Si]1(OCC)CCCS1.OCC(CO)(CO)CO
InChIInChI=1S/C11H20O4S2Si2.C8H20O2SSi.C7H16O2SSi.C5H12O4/c1-3-16-18(5-1)12-7-11(8-13-18)9-14-19(15-10-11)6-2-4-17-19;1-4-9-12(3,10-5-2)8-6-7-11;1-3-8-11(9-4-2)7-5-6-10-11;6-1-5(2-7,3-8)4-9/h1-10H2;11H,4-8H2,1-3H3;3-7H2,1-2H3;6-9H,1-4H2
InChIKeyNDVWZFNMWHLRHH-UHFFFAOYSA-N
MW873.48 g/mol
LogP4.75
Rot. Bonds15

About 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane

2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane (PubChem CID 159752758) has the molecular formula C31H68O12S4Si4 and a molecular weight of 873.48 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane
PubChem CID159752758
Molecular FormulaC31H68O12S4Si4
Molecular Weight873.48 g/mol
Exact Mass872.27
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane
SMILESC1CS[Si]2(C1)OCC1(CO2)CO[Si]2(CCCS2)OC1.CCO[Si](C)(CCCS)OCC.CCO[Si]1(OCC)CCCS1.OCC(CO)(CO)CO
InChIInChI=1S/C11H20O4S2Si2.C8H20O2SSi.C7H16O2SSi.C5H12O4/c1-3-16-18(5-1)12-7-11(8-13-18)9-14-19(15-10-11)6-2-4-17-19;1-4-9-12(3,10-5-2)8-6-7-11;1-3-8-11(9-4-2)7-5-6-10-11;6-1-5(2-7,3-8)4-9/h1-10H2;11H,4-8H2,1-3H3;3-7H2,1-2H3;6-9H,1-4H2
InChIKeyNDVWZFNMWHLRHH-UHFFFAOYSA-N
XLogP4.75
TPSA154.76 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.48
LogP ≤ 54.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane with MolForge

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Related Compounds

2,2-diethoxythiasilinane
CID 163262157
[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
CID 165005930
6-(2,2-diethoxyazasilolidin-1-yl)hexyl-diethoxy-methylsilane
CID 175874155
3-[ethoxy(dimethyl)silyl]propane-1-thiol;silane
CID 159201084
3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol
CID 139759526
3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
CID 88614402
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
diethoxy-methyl-undecylsilane
CID 140884401
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol
CID 151968282
3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol
CID 23341375
3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol
CID 160591949

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane (CID 159752758) is 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane is C1CS[Si]2(C1)OCC1(CO2)CO[Si]2(CCCS2)OC1.CCO[Si](C)(CCCS)OCC.CCO[Si]1(OCC)CCCS1.OCC(CO)(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane?
The InChIKey is NDVWZFNMWHLRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S2Si2.C8H20O2SSi.C7H16O2SSi.C5H12O4/c1-3-16-18(5-1)12-7-11(8-13-18)9-14-19(15-10-11)6-2-4-17-19;1-4-9-12(3,10-5-2)8-6-7-11;1-3-8-11(9-4-2)7-5-6-10-11;6-1-5(2-7,3-8)4-9/h1-10H2;11H,4-8H2,1-3H3;3-7H2,1-2H3;6-9H,1-4H2.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane?
2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane has a molecular weight of 873.48 g/mol, XLogP of 4.75, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane is sourced from PubChem (CID 159752758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).