4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene

C24H44S2 — CID 123815753

IUPAC4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene
SMILESCCC1CC(CC)C2C1CSC2(C)C.CCC1CC(CC)C2CSCC12
InChIInChI=1S/C13H24S.C11H20S/c1-5-9-7-10(6-2)12-11(9)8-14-13(12,3)4;1-3-8-5-9(4-2)11-7-12-6-10(8)11/h9-12H,5-8H2,1-4H3;8-11H,3-7H2,1-2H3
InChIKeyGYCBUMSIPZZHAX-UHFFFAOYSA-N
MW396.75 g/mol
LogP7.62
Rot. Bonds4

About 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene

4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene (PubChem CID 123815753) has the molecular formula C24H44S2 and a molecular weight of 396.75 g/mol. Its IUPAC name is 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene.

Molecular Properties

Compound Name4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene
PubChem CID123815753
Molecular FormulaC24H44S2
Molecular Weight396.75 g/mol
Exact Mass396.29
IUPAC Name4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene
SMILESCCC1CC(CC)C2C1CSC2(C)C.CCC1CC(CC)C2CSCC12
InChIInChI=1S/C13H24S.C11H20S/c1-5-9-7-10(6-2)12-11(9)8-14-13(12,3)4;1-3-8-5-9(4-2)11-7-12-6-10(8)11/h9-12H,5-8H2,1-4H3;8-11H,3-7H2,1-2H3
InChIKeyGYCBUMSIPZZHAX-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene 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 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
The IUPAC name of 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene (CID 123815753) is 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene.
What is the SMILES notation for 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
The canonical SMILES for 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene is CCC1CC(CC)C2C1CSC2(C)C.CCC1CC(CC)C2CSCC12.
What is the InChIKey of 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
The InChIKey is GYCBUMSIPZZHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S.C11H20S/c1-5-9-7-10(6-2)12-11(9)8-14-13(12,3)4;1-3-8-5-9(4-2)11-7-12-6-10(8)11/h9-12H,5-8H2,1-4H3;8-11H,3-7H2,1-2H3.
What are the key properties of 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene has a molecular weight of 396.75 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene is sourced from PubChem (CID 123815753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).