5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

C9H14S — CID 91267388

IUPAC5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCCC1CC2C=CSC2C1
InChIInChI=1S/C9H14S/c1-2-7-5-8-3-4-10-9(8)6-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyFEEGVVRDHQJTPR-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.05
Rot. Bonds1

About 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (PubChem CID 91267388) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
PubChem CID91267388
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCCC1CC2C=CSC2C1
InChIInChI=1S/C9H14S/c1-2-7-5-8-3-4-10-9(8)6-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyFEEGVVRDHQJTPR-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (CID 91267388) is 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is CCC1CC2C=CSC2C1.
What is the InChIKey of 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The InChIKey is FEEGVVRDHQJTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-2-7-5-8-3-4-10-9(8)6-7/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene has a molecular weight of 154.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 91267388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).