triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane

C12H26O4SSi — CID 90110573

IUPACtriethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane
SMILESCCO[Si](CCCOCC1CS1)(OCC)OCC
InChIInChI=1S/C12H26O4SSi/c1-4-14-18(15-5-2,16-6-3)9-7-8-13-10-12-11-17-12/h12H,4-11H2,1-3H3
InChIKeyWUVPBUIKDJVBAL-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.56
Rot. Bonds12

About triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane

triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane (PubChem CID 90110573) has the molecular formula C12H26O4SSi and a molecular weight of 294.49 g/mol. Its IUPAC name is triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane
PubChem CID90110573
Molecular FormulaC12H26O4SSi
Molecular Weight294.49 g/mol
Exact Mass294.13
IUPAC Nametriethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane
SMILESCCO[Si](CCCOCC1CS1)(OCC)OCC
InChIInChI=1S/C12H26O4SSi/c1-4-14-18(15-5-2,16-6-3)9-7-8-13-10-12-11-17-12/h12H,4-11H2,1-3H3
InChIKeyWUVPBUIKDJVBAL-UHFFFAOYSA-N
XLogP2.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.56
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

triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
triethoxy-[3-(oxetan-3-ylmethoxy)propyl]silane
CID 11346874
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
triethoxy(thiiran-2-ylmethyl)silane
CID 90108689
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
3-(3-triethoxysilylpropoxymethyl)oxolane-2,5-dione
CID 142624035
triethoxy(3-methoxypropyl)silane
CID 22712922
methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
CID 161118607
triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane
CID 154426200

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane?
The IUPAC name of triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane (CID 90110573) is triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane is CCO[Si](CCCOCC1CS1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane?
The InChIKey is WUVPBUIKDJVBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4SSi/c1-4-14-18(15-5-2,16-6-3)9-7-8-13-10-12-11-17-12/h12H,4-11H2,1-3H3.
What are the key properties of triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane?
triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane has a molecular weight of 294.49 g/mol, XLogP of 2.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 90110573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).