(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C10H14O2 — CID 101274655

IUPAC(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC[C@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C10H14O2/c1-2-7-6-8-4-3-5-12-10(8)9(7)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyRAZQRLJQUHJHGF-ZETCQYMHSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds1

About (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 101274655) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID101274655
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC[C@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C10H14O2/c1-2-7-6-8-4-3-5-12-10(8)9(7)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyRAZQRLJQUHJHGF-ZETCQYMHSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 101274655) is (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CC[C@H]1CC2=C(OCCC2)C1=O.
What is the InChIKey of (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is RAZQRLJQUHJHGF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-7-6-8-4-3-5-12-10(8)9(7)11/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 166.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 101274655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).