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

C24H36GeS2 — CID 140670585

IUPAC7-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
SMILESCCCCC(CC)C[Ge]1(C2CCCCC2)c2cc(C)sc2-c2sc(C)cc21
InChIInChI=1S/C24H36GeS2/c1-5-7-11-19(6-2)16-25(20-12-9-8-10-13-20)21-14-17(3)26-23(21)24-22(25)15-18(4)27-24/h14-15,19-20H,5-13,16H2,1-4H3
InChIKeyHVVTWKUBLWQPDB-UHFFFAOYSA-N
MW461.30 g/mol
LogP7.52
Rot. Bonds7

About 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

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 (PubChem CID 140670585) has the molecular formula C24H36GeS2 and a molecular weight of 461.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID140670585
Molecular FormulaC24H36GeS2
Molecular Weight461.30 g/mol
Exact Mass462.15
IUPAC Name7-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
SMILESCCCCC(CC)C[Ge]1(C2CCCCC2)c2cc(C)sc2-c2sc(C)cc21
InChIInChI=1S/C24H36GeS2/c1-5-7-11-19(6-2)16-25(20-12-9-8-10-13-20)21-14-17(3)26-23(21)24-22(25)15-18(4)27-24/h14-15,19-20H,5-13,16H2,1-4H3
InChIKeyHVVTWKUBLWQPDB-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.30
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
4-[[3-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]cyclopentyl]methyl]-7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 90874559
5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
CID 123832552
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618
4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2,6-dimethyl-4,8-dihydrothieno[2,3-f][1]benzothiole
CID 166497999
1-cyclohexyl-2-(2-ethylhexyl)benzene
CID 154130996
tris(cyclohexyl(2-ethylhexyl)phosphinate);iron(3+)
CID 19865296
7-(2-butyloctyl)-4,10-dimethyl-7-pentyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 123407748
14,15-bis(2-ethylhexoxy)-4,9-dimethyl-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
CID 90361979
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione
CID 123136845

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CC)C[Ge]1(C2CCCCC2)c2cc(C)sc2-c2sc(C)cc21.
What is the InChIKey of 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?
The InChIKey is HVVTWKUBLWQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36GeS2/c1-5-7-11-19(6-2)16-25(20-12-9-8-10-13-20)21-14-17(3)26-23(21)24-22(25)15-18(4)27-24/h14-15,19-20H,5-13,16H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 461.30 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140670585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).