trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane

C28H40S4Si5 — CID 12996450

IUPACtrimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane
SMILESC[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]21c2cc([Si](C)(C)C)sc2-c2sc([Si](C)(C)C)cc21
InChIInChI=1S/C28H40S4Si5/c1-33(2,3)21-13-17-25(29-21)26-18(14-22(30-26)34(4,5)6)37(17)19-15-23(35(7,8)9)31-27(19)28-20(37)16-24(32-28)36(10,11)12/h13-16H,1-12H3
InChIKeyUWHUSUCTMWCOQA-UHFFFAOYSA-N
MW645.33 g/mol
LogP5.45
Rot. Bonds4

About trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane

trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane (PubChem CID 12996450) has the molecular formula C28H40S4Si5 and a molecular weight of 645.33 g/mol. Its IUPAC name is trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane
PubChem CID12996450
Molecular FormulaC28H40S4Si5
Molecular Weight645.33 g/mol
Exact Mass644.09
IUPAC Nametrimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane
SMILESC[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]21c2cc([Si](C)(C)C)sc2-c2sc([Si](C)(C)C)cc21
InChIInChI=1S/C28H40S4Si5/c1-33(2,3)21-13-17-25(29-21)26-18(14-22(30-26)34(4,5)6)37(17)19-15-23(35(7,8)9)31-27(19)28-20(37)16-24(32-28)36(10,11)12/h13-16H,1-12H3
InChIKeyUWHUSUCTMWCOQA-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.33
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-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 trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane?
The IUPAC name of trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane (CID 12996450) is trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane.
What is the SMILES notation for trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane?
The canonical SMILES for trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane is C[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]21c2cc([Si](C)(C)C)sc2-c2sc([Si](C)(C)C)cc21.
What is the InChIKey of trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane?
The InChIKey is UWHUSUCTMWCOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40S4Si5/c1-33(2,3)21-13-17-25(29-21)26-18(14-22(30-26)34(4,5)6)37(17)19-15-23(35(7,8)9)31-27(19)28-20(37)16-24(32-28)36(10,11)12/h13-16H,1-12H3.
What are the key properties of trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane?
trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane has a molecular weight of 645.33 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4',10,10'-tris(trimethylsilyl)-7,7'-spirobi[3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4-yl]silane is sourced from PubChem (CID 12996450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).