2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene

C11H20S — CID 77429467

IUPAC2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene
SMILESCCC1SC2CCCC2C1CC
InChIInChI=1S/C11H20S/c1-3-8-9-6-5-7-11(9)12-10(8)4-2/h8-11H,3-7H2,1-2H3
InChIKeyDFFAOSKUBJOUGM-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.71
Rot. Bonds2

About 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene

2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene (PubChem CID 77429467) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene
PubChem CID77429467
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene
SMILESCCC1SC2CCCC2C1CC
InChIInChI=1S/C11H20S/c1-3-8-9-6-5-7-11(9)12-10(8)4-2/h8-11H,3-7H2,1-2H3
InChIKeyDFFAOSKUBJOUGM-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
The IUPAC name of 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene (CID 77429467) is 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
The canonical SMILES for 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene is CCC1SC2CCCC2C1CC.
What is the InChIKey of 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
The InChIKey is DFFAOSKUBJOUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-8-9-6-5-7-11(9)12-10(8)4-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene has a molecular weight of 184.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 77429467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).