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

C10H18S — CID 118612998

IUPAC3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene
SMILESCC(C)C1CSC2CCCC21
InChIInChI=1S/C10H18S/c1-7(2)9-6-11-10-5-3-4-8(9)10/h7-10H,3-6H2,1-2H3
InChIKeyVKZRADSZEWASGC-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.17
Rot. Bonds1

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

3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene (PubChem CID 118612998) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene
PubChem CID118612998
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene
SMILESCC(C)C1CSC2CCCC21
InChIInChI=1S/C10H18S/c1-7(2)9-6-11-10-5-3-4-8(9)10/h7-10H,3-6H2,1-2H3
InChIKeyVKZRADSZEWASGC-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
The IUPAC name of 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene (CID 118612998) is 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
The canonical SMILES for 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene is CC(C)C1CSC2CCCC21.
What is the InChIKey of 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
The InChIKey is VKZRADSZEWASGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7(2)9-6-11-10-5-3-4-8(9)10/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene?
3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene has a molecular weight of 170.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 118612998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).