triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane

C22H48O8S2Si2 — CID 154426200

IUPACtriethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane
SMILESCCO[Si](CCOC1CCC(OCC[Si](OCC)(OCC)OCC)CSSC1)(OCC)OCC
InChIInChI=1S/C22H48O8S2Si2/c1-7-25-33(26-8-2,27-9-3)17-15-23-21-13-14-22(20-32-31-19-21)24-16-18-34(28-10-4,29-11-5)30-12-6/h21-22H,7-20H2,1-6H3
InChIKeyIRLWZFIFFOJRHS-UHFFFAOYSA-N
MW560.92 g/mol
LogP5.03
Rot. Bonds20

About triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane

triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane (PubChem CID 154426200) has the molecular formula C22H48O8S2Si2 and a molecular weight of 560.92 g/mol. Its IUPAC name is triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane
PubChem CID154426200
Molecular FormulaC22H48O8S2Si2
Molecular Weight560.92 g/mol
Exact Mass560.23
IUPAC Nametriethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane
SMILESCCO[Si](CCOC1CCC(OCC[Si](OCC)(OCC)OCC)CSSC1)(OCC)OCC
InChIInChI=1S/C22H48O8S2Si2/c1-7-25-33(26-8-2,27-9-3)17-15-23-21-13-14-22(20-32-31-19-21)24-16-18-34(28-10-4,29-11-5)30-12-6/h21-22H,7-20H2,1-6H3
InChIKeyIRLWZFIFFOJRHS-UHFFFAOYSA-N
XLogP5.03
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.92
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane
CID 90110573
(4S)-4-propoxydithiane
CID 144640871
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
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
triethoxy(thiiran-2-ylmethyl)silane
CID 90108689
2-triethoxysilylethyl cyanate
CID 3023809
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy-[2-[(1R)-1-[(2R)-thiolan-2-yl]oxypropoxy]ethyl]silane
CID 125183260

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane?
The IUPAC name of triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane (CID 154426200) is triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane.
What is the SMILES notation for triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane?
The canonical SMILES for triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane is CCO[Si](CCOC1CCC(OCC[Si](OCC)(OCC)OCC)CSSC1)(OCC)OCC.
What is the InChIKey of triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane?
The InChIKey is IRLWZFIFFOJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O8S2Si2/c1-7-25-33(26-8-2,27-9-3)17-15-23-21-13-14-22(20-32-31-19-21)24-16-18-34(28-10-4,29-11-5)30-12-6/h21-22H,7-20H2,1-6H3.
What are the key properties of triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane?
triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane has a molecular weight of 560.92 g/mol, XLogP of 5.03, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane is sourced from PubChem (CID 154426200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).