ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane

C12H30O2S3Si2 — CID 158118116

IUPACethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane
SMILESCCOC[SiH2]CCCSSSCCC[SiH2]COCC
InChIInChI=1S/C12H30O2S3Si2/c1-3-13-11-18-9-5-7-15-17-16-8-6-10-19-12-14-4-2/h3-12,18-19H2,1-2H3
InChIKeyFRGQGEKUKQJCRU-UHFFFAOYSA-N
MW358.74 g/mol
LogP2.96
Rot. Bonds16

About ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane

ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane (PubChem CID 158118116) has the molecular formula C12H30O2S3Si2 and a molecular weight of 358.74 g/mol. Its IUPAC name is ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane.

Molecular Properties

Compound Nameethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane
PubChem CID158118116
Molecular FormulaC12H30O2S3Si2
Molecular Weight358.74 g/mol
Exact Mass358.09
IUPAC Nameethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane
SMILESCCOC[SiH2]CCCSSSCCC[SiH2]COCC
InChIInChI=1S/C12H30O2S3Si2/c1-3-13-11-18-9-5-7-15-17-16-8-6-10-19-12-14-4-2/h3-12,18-19H2,1-2H3
InChIKeyFRGQGEKUKQJCRU-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
ethoxymethoxy-[3-[3-[2-(ethoxymethoxy)ethoxysilyl]propyltetrasulfanyl]propyl]silane
CID 173161096
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-(butyltrisulfanyl)octane
CID 141156696
bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane
CID 173380042
[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 159624155
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane
CID 123947780
3-(3-dimethoxysilylpropyltrisulfanyl)propyl-dimethoxysilane
CID 150262793
CID 155760558
CID 155760558
4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane
CID 123596896

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
The IUPAC name of ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane (CID 158118116) is ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane.
What is the SMILES notation for ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
The canonical SMILES for ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane is CCOC[SiH2]CCCSSSCCC[SiH2]COCC.
What is the InChIKey of ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
The InChIKey is FRGQGEKUKQJCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O2S3Si2/c1-3-13-11-18-9-5-7-15-17-16-8-6-10-19-12-14-4-2/h3-12,18-19H2,1-2H3.
What are the key properties of ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane has a molecular weight of 358.74 g/mol, XLogP of 2.96, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl-[3-[3-(ethoxymethylsilyl)propyltrisulfanyl]propyl]silane is sourced from PubChem (CID 158118116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).