(7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane

C21H34GeS2Si — CID 159870361

IUPAC(7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane
SMILESCCCCCCCC[Ge]1(C)c2cc(C)sc2-c2sc([Si](C)(C)C)cc21
InChIInChI=1S/C21H34GeS2Si/c1-7-8-9-10-11-12-13-22(3)17-14-16(2)23-20(17)21-18(22)15-19(24-21)25(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyIAAMOFVIYPKOCG-UHFFFAOYSA-N
MW451.33 g/mol
LogP6.20
Rot. Bonds8

About (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane

(7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane (PubChem CID 159870361) has the molecular formula C21H34GeS2Si and a molecular weight of 451.33 g/mol. Its IUPAC name is (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane
PubChem CID159870361
Molecular FormulaC21H34GeS2Si
Molecular Weight451.33 g/mol
Exact Mass452.11
IUPAC Name(7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane
SMILESCCCCCCCC[Ge]1(C)c2cc(C)sc2-c2sc([Si](C)(C)C)cc21
InChIInChI=1S/C21H34GeS2Si/c1-7-8-9-10-11-12-13-22(3)17-14-16(2)23-20(17)21-18(22)15-19(24-21)25(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyIAAMOFVIYPKOCG-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.33
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane with MolForge

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Related Compounds

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3-(5-dodecylthiophen-2-yl)-2-[5-[5-[3-(5-dodecylthiophen-2-yl)-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
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decane;2-methyl-1,3-oxazole
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7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 123638752
4-[4-hexyl-5-[4-hexyl-5-[3-hexyl-5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 58121547
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
7-cyclohexyl-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 140670585
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

Frequently Asked Questions

What is the IUPAC name of (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
The IUPAC name of (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane (CID 159870361) is (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane.
What is the SMILES notation for (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
The canonical SMILES for (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane is CCCCCCCC[Ge]1(C)c2cc(C)sc2-c2sc([Si](C)(C)C)cc21.
What is the InChIKey of (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
The InChIKey is IAAMOFVIYPKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34GeS2Si/c1-7-8-9-10-11-12-13-22(3)17-14-16(2)23-20(17)21-18(22)15-19(24-21)25(4,5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
(7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane has a molecular weight of 451.33 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,10-dimethyl-7-octyl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane is sourced from PubChem (CID 159870361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).