3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane

C14H30O6SSi — CID 20682750

IUPAC3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane
SMILESCCC1(COOCCSCCC[Si](OC)(OC)OC)COC1
InChIInChI=1S/C14H30O6SSi/c1-5-14(11-18-12-14)13-20-19-7-9-21-8-6-10-22(15-2,16-3)17-4/h5-13H2,1-4H3
InChIKeyQDIPIGJKEJPNCE-UHFFFAOYSA-N
MW354.54 g/mol
LogP2.36
Rot. Bonds14

About 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane

3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane (PubChem CID 20682750) has the molecular formula C14H30O6SSi and a molecular weight of 354.54 g/mol. Its IUPAC name is 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane
PubChem CID20682750
Molecular FormulaC14H30O6SSi
Molecular Weight354.54 g/mol
Exact Mass354.15
IUPAC Name3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane
SMILESCCC1(COOCCSCCC[Si](OC)(OC)OC)COC1
InChIInChI=1S/C14H30O6SSi/c1-5-14(11-18-12-14)13-20-19-7-9-21-8-6-10-22(15-2,16-3)17-4/h5-13H2,1-4H3
InChIKeyQDIPIGJKEJPNCE-UHFFFAOYSA-N
XLogP2.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-(ethylperoxymethyl)oxetane
CID 151175316
1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 58830711
ethyl-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethoxysilane
CID 141043104
(3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane
CID 154218652
3-[(3-ethyloxetan-3-yl)methoxy]propyl-hydroxy-dimethylsilane
CID 59434230
bis(2-butylsulfanylethyl)-bis[2-(3-trimethoxysilylpropylsulfanyl)ethyl]silane
CID 159584863
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854
3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
CID 102318715
trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane
CID 140639990
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane?
The IUPAC name of 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane (CID 20682750) is 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane.
What is the SMILES notation for 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane?
The canonical SMILES for 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane is CCC1(COOCCSCCC[Si](OC)(OC)OC)COC1.
What is the InChIKey of 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane?
The InChIKey is QDIPIGJKEJPNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6SSi/c1-5-14(11-18-12-14)13-20-19-7-9-21-8-6-10-22(15-2,16-3)17-4/h5-13H2,1-4H3.
What are the key properties of 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane?
3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane has a molecular weight of 354.54 g/mol, XLogP of 2.36, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-ethyloxetan-3-yl)methylperoxy]ethylsulfanyl]propyl-trimethoxysilane is sourced from PubChem (CID 20682750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).