5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

C10H16S — CID 90901752

IUPAC5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC(C)C1CC2C=CSC2C1
InChIInChI=1S/C10H16S/c1-7(2)9-5-8-3-4-11-10(8)6-9/h3-4,7-10H,5-6H2,1-2H3
InChIKeyOBHPRBIUWMOXNV-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.30
Rot. Bonds1

About 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (PubChem CID 90901752) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
PubChem CID90901752
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC(C)C1CC2C=CSC2C1
InChIInChI=1S/C10H16S/c1-7(2)9-5-8-3-4-11-10(8)6-9/h3-4,7-10H,5-6H2,1-2H3
InChIKeyOBHPRBIUWMOXNV-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (CID 90901752) is 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is CC(C)C1CC2C=CSC2C1.
What is the InChIKey of 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The InChIKey is OBHPRBIUWMOXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-7(2)9-5-8-3-4-11-10(8)6-9/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene has a molecular weight of 168.31 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 90901752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).