triethoxy-(8-triethoxysilylthianthren-2-yl)silane

C24H36O6S2Si2 — CID 71116866

IUPACtriethoxy-(8-triethoxysilylthianthren-2-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)Sc1cc([Si](OCC)(OCC)OCC)ccc1S2
InChIInChI=1S/C24H36O6S2Si2/c1-7-25-33(26-8-2,27-9-3)19-13-15-21-23(17-19)32-24-18-20(14-16-22(24)31-21)34(28-10-4,29-11-5)30-12-6/h13-18H,7-12H2,1-6H3
InChIKeyCUHYYUIOHNJOQM-UHFFFAOYSA-N
MW540.85 g/mol
LogP4.81
Rot. Bonds14

About triethoxy-(8-triethoxysilylthianthren-2-yl)silane

triethoxy-(8-triethoxysilylthianthren-2-yl)silane (PubChem CID 71116866) has the molecular formula C24H36O6S2Si2 and a molecular weight of 540.85 g/mol. Its IUPAC name is triethoxy-(8-triethoxysilylthianthren-2-yl)silane.

Molecular Properties

Compound Nametriethoxy-(8-triethoxysilylthianthren-2-yl)silane
PubChem CID71116866
Molecular FormulaC24H36O6S2Si2
Molecular Weight540.85 g/mol
Exact Mass540.15
IUPAC Nametriethoxy-(8-triethoxysilylthianthren-2-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)Sc1cc([Si](OCC)(OCC)OCC)ccc1S2
InChIInChI=1S/C24H36O6S2Si2/c1-7-25-33(26-8-2,27-9-3)19-13-15-21-23(17-19)32-24-18-20(14-16-22(24)31-21)34(28-10-4,29-11-5)30-12-6/h13-18H,7-12H2,1-6H3
InChIKeyCUHYYUIOHNJOQM-UHFFFAOYSA-N
XLogP4.81
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.85
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze triethoxy-(8-triethoxysilylthianthren-2-yl)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethoxy-(8-triethoxysilylthianthren-2-yl)silane?
The IUPAC name of triethoxy-(8-triethoxysilylthianthren-2-yl)silane (CID 71116866) is triethoxy-(8-triethoxysilylthianthren-2-yl)silane.
What is the SMILES notation for triethoxy-(8-triethoxysilylthianthren-2-yl)silane?
The canonical SMILES for triethoxy-(8-triethoxysilylthianthren-2-yl)silane is CCO[Si](OCC)(OCC)c1ccc2c(c1)Sc1cc([Si](OCC)(OCC)OCC)ccc1S2.
What is the InChIKey of triethoxy-(8-triethoxysilylthianthren-2-yl)silane?
The InChIKey is CUHYYUIOHNJOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O6S2Si2/c1-7-25-33(26-8-2,27-9-3)19-13-15-21-23(17-19)32-24-18-20(14-16-22(24)31-21)34(28-10-4,29-11-5)30-12-6/h13-18H,7-12H2,1-6H3.
What are the key properties of triethoxy-(8-triethoxysilylthianthren-2-yl)silane?
triethoxy-(8-triethoxysilylthianthren-2-yl)silane has a molecular weight of 540.85 g/mol, XLogP of 4.81, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(8-triethoxysilylthianthren-2-yl)silane is sourced from PubChem (CID 71116866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).