trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane

C9H20O4SSi — CID 140639990

IUPACtrimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane
SMILESCO[Si](CCCSCC1CO1)(OC)OC
InChIInChI=1S/C9H20O4SSi/c1-10-15(11-2,12-3)6-4-5-14-8-9-7-13-9/h9H,4-8H2,1-3H3
InChIKeyIUJOVDOYKYSDBY-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.39
Rot. Bonds9

About trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane

trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane (PubChem CID 140639990) has the molecular formula C9H20O4SSi and a molecular weight of 252.41 g/mol. Its IUPAC name is trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane
PubChem CID140639990
Molecular FormulaC9H20O4SSi
Molecular Weight252.41 g/mol
Exact Mass252.09
IUPAC Nametrimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane
SMILESCO[Si](CCCSCC1CO1)(OC)OC
InChIInChI=1S/C9H20O4SSi/c1-10-15(11-2,12-3)6-4-5-14-8-9-7-13-9/h9H,4-8H2,1-3H3
InChIKeyIUJOVDOYKYSDBY-UHFFFAOYSA-N
XLogP1.39
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
CID 99865005
butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
CID 175382377
2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane
CID 22899095
3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
CID 102318715
trimethoxy-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 10130712
oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950
trimethoxy(3-silylsulfanylpropyl)silane
CID 123801748
bis(2-butylsulfanylethyl)-bis[2-(3-trimethoxysilylpropylsulfanyl)ethyl]silane
CID 159584863
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
2-[1,5-bis(oxiran-2-ylmethylsulfanyl)pentan-2-ylsulfanylmethyl]oxirane
CID 139410923
dimethoxy-[(2-methylpropan-2-yl)oxy]-[2-(oxiran-2-yl)ethyl]silane
CID 59854331

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane?
The IUPAC name of trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane (CID 140639990) is trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane is CO[Si](CCCSCC1CO1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane?
The InChIKey is IUJOVDOYKYSDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4SSi/c1-10-15(11-2,12-3)6-4-5-14-8-9-7-13-9/h9H,4-8H2,1-3H3.
What are the key properties of trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane?
trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane has a molecular weight of 252.41 g/mol, XLogP of 1.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane is sourced from PubChem (CID 140639990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).