1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol

C8H14OS — CID 170085365

IUPAC1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol
SMILESOC1CCC2CCSCC12
InChIInChI=1S/C8H14OS/c9-8-2-1-6-3-4-10-5-7(6)8/h6-9H,1-5H2
InChIKeyYFNIWPYBBUHXMR-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.51
Rot. Bonds

About 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol

1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol (PubChem CID 170085365) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol.

Molecular Properties

Compound Name1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol
PubChem CID170085365
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol
SMILESOC1CCC2CCSCC12
InChIInChI=1S/C8H14OS/c9-8-2-1-6-3-4-10-5-7(6)8/h6-9H,1-5H2
InChIKeyYFNIWPYBBUHXMR-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol?
The IUPAC name of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol (CID 170085365) is 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol.
What is the SMILES notation for 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol?
The canonical SMILES for 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol is OC1CCC2CCSCC12.
What is the InChIKey of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol?
The InChIKey is YFNIWPYBBUHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-8-2-1-6-3-4-10-5-7(6)8/h6-9H,1-5H2.
What are the key properties of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol?
1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol has a molecular weight of 158.27 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol is sourced from PubChem (CID 170085365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).