(7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran

C10H14OS — CID 130220206

IUPAC(7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran
SMILESCOC1=C[C@H](C)C2=C1CCSC2
InChIInChI=1S/C10H14OS/c1-7-5-10(11-2)8-3-4-12-6-9(7)8/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyOJVVBNBSXGCUMT-ZETCQYMHSA-N
MW182.29 g/mol
LogP2.60
Rot. Bonds1

About (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran

(7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran (PubChem CID 130220206) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran.

Molecular Properties

Compound Name(7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran
PubChem CID130220206
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran
SMILESCOC1=C[C@H](C)C2=C1CCSC2
InChIInChI=1S/C10H14OS/c1-7-5-10(11-2)8-3-4-12-6-9(7)8/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyOJVVBNBSXGCUMT-ZETCQYMHSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
The IUPAC name of (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran (CID 130220206) is (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran.
What is the SMILES notation for (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
The canonical SMILES for (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran is COC1=C[C@H](C)C2=C1CCSC2.
What is the InChIKey of (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
The InChIKey is OJVVBNBSXGCUMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14OS/c1-7-5-10(11-2)8-3-4-12-6-9(7)8/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
(7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran has a molecular weight of 182.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-methoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran is sourced from PubChem (CID 130220206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).