7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C22H28GeS3 — CID 140670594

IUPAC7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCCCCC(CC)C[Ge]1(c2cccs2)c2cc(C)sc2-c2sc(C)cc21
InChIInChI=1S/C22H28GeS3/c1-5-7-9-17(6-2)14-23(20-10-8-11-24-20)18-12-15(3)25-21(18)22-19(23)13-16(4)26-22/h8,10-13,17H,5-7,9,14H2,1-4H3
InChIKeyFSGNFIBESOZEPI-UHFFFAOYSA-N
MW461.28 g/mol
LogP6.15
Rot. Bonds7

About 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 140670594) has the molecular formula C22H28GeS3 and a molecular weight of 461.28 g/mol. Its IUPAC name is 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID140670594
Molecular FormulaC22H28GeS3
Molecular Weight461.28 g/mol
Exact Mass462.06
IUPAC Name7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCCCCC(CC)C[Ge]1(c2cccs2)c2cc(C)sc2-c2sc(C)cc21
InChIInChI=1S/C22H28GeS3/c1-5-7-9-17(6-2)14-23(20-10-8-11-24-20)18-12-15(3)25-21(18)22-19(23)13-16(4)26-22/h8,10-13,17H,5-7,9,14H2,1-4H3
InChIKeyFSGNFIBESOZEPI-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.28
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 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

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
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
2-(4-ethylhexoxy)thiophene
CID 175479454
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499
2-(2-butyloctyl)thiophene
CID 66609412
2-[10-(2-ethylhexyl)-6-methylphenanthren-9-yl]thiophene
CID 143404763
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
4,8-bis(2-ethylhexoxy)-2-thiophen-2-ylthieno[2,3-f][1]benzothiole
CID 132551962
N-(2-ethylhexyl)-2-thiophen-2-ylacetamide
CID 2916095
2',7'-bis(2-ethylhexyl)-1,3-dithiophen-2-ylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]
CID 102360238
2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 140670594) is 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CCCCC(CC)C[Ge]1(c2cccs2)c2cc(C)sc2-c2sc(C)cc21.
What is the InChIKey of 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is FSGNFIBESOZEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28GeS3/c1-5-7-9-17(6-2)14-23(20-10-8-11-24-20)18-12-15(3)25-21(18)22-19(23)13-16(4)26-22/h8,10-13,17H,5-7,9,14H2,1-4H3.
What are the key properties of 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 461.28 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylhexyl)-4,10-dimethyl-7-thiophen-2-yl-3,11-dithia-7-germatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 140670594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).