[[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate

C13H36O8SSi4 — CID 154588977

IUPAC[[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate
SMILESCO[Si](CO)(C[Si](C)(C)O[Si](C)(CCCS)O[Si](OC)(OC)OC)OC
InChIInChI=1S/C13H36O8SSi4/c1-15-25(12-14,16-2)13-23(6,7)20-24(8,11-9-10-22)21-26(17-3,18-4)19-5/h14,22H,9-13H2,1-8H3
InChIKeyCRCGVKWZVGMSRB-UHFFFAOYSA-N
MW464.83 g/mol
LogP1.80
Rot. Bonds15

About [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate

[[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate (PubChem CID 154588977) has the molecular formula C13H36O8SSi4 and a molecular weight of 464.83 g/mol. Its IUPAC name is [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate.

Molecular Properties

Compound Name[[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate
PubChem CID154588977
Molecular FormulaC13H36O8SSi4
Molecular Weight464.83 g/mol
Exact Mass464.12
IUPAC Name[[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate
SMILESCO[Si](CO)(C[Si](C)(C)O[Si](C)(CCCS)O[Si](OC)(OC)OC)OC
InChIInChI=1S/C13H36O8SSi4/c1-15-25(12-14,16-2)13-23(6,7)20-24(8,11-9-10-22)21-26(17-3,18-4)19-5/h14,22H,9-13H2,1-8H3
InChIKeyCRCGVKWZVGMSRB-UHFFFAOYSA-N
XLogP1.80
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.83
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate?
The IUPAC name of [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate (CID 154588977) is [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate.
What is the SMILES notation for [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate?
The canonical SMILES for [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate is CO[Si](CO)(C[Si](C)(C)O[Si](C)(CCCS)O[Si](OC)(OC)OC)OC.
What is the InChIKey of [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate?
The InChIKey is CRCGVKWZVGMSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H36O8SSi4/c1-15-25(12-14,16-2)13-23(6,7)20-24(8,11-9-10-22)21-26(17-3,18-4)19-5/h14,22H,9-13H2,1-8H3.
What are the key properties of [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate?
[[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate has a molecular weight of 464.83 g/mol, XLogP of 1.80, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[[hydroxymethyl(dimethoxy)silyl]methyl-dimethylsilyl]oxy-methyl-(3-sulfanylpropyl)silyl] trimethyl silicate is sourced from PubChem (CID 154588977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).