trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane

C14H34O6S2Si2 — CID 163816566

IUPACtrimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane
SMILESCOC(OC)(OC)[SiH2]CCCSSCCC[SiH2]C(OC)(OC)OC
InChIInChI=1S/C14H34O6S2Si2/c1-15-13(16-2,17-3)23-11-7-9-21-22-10-8-12-24-14(18-4,19-5)20-6/h7-12,23-24H2,1-6H3
InChIKeyNRVYNOSNAHTBQQ-UHFFFAOYSA-N
MW418.73 g/mol
LogP1.42
Rot. Bonds17

About trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane

trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane (PubChem CID 163816566) has the molecular formula C14H34O6S2Si2 and a molecular weight of 418.73 g/mol. Its IUPAC name is trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane.

Molecular Properties

Compound Nametrimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane
PubChem CID163816566
Molecular FormulaC14H34O6S2Si2
Molecular Weight418.73 g/mol
Exact Mass418.13
IUPAC Nametrimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane
SMILESCOC(OC)(OC)[SiH2]CCCSSCCC[SiH2]C(OC)(OC)OC
InChIInChI=1S/C14H34O6S2Si2/c1-15-13(16-2,17-3)23-11-7-9-21-22-10-8-12-24-14(18-4,19-5)20-6/h7-12,23-24H2,1-6H3
InChIKeyNRVYNOSNAHTBQQ-UHFFFAOYSA-N
XLogP1.42
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane?
The IUPAC name of trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane (CID 163816566) is trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane.
What is the SMILES notation for trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane?
The canonical SMILES for trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane is COC(OC)(OC)[SiH2]CCCSSCCC[SiH2]C(OC)(OC)OC.
What is the InChIKey of trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane?
The InChIKey is NRVYNOSNAHTBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34O6S2Si2/c1-15-13(16-2,17-3)23-11-7-9-21-22-10-8-12-24-14(18-4,19-5)20-6/h7-12,23-24H2,1-6H3.
What are the key properties of trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane?
trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane has a molecular weight of 418.73 g/mol, XLogP of 1.42, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane is sourced from PubChem (CID 163816566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).