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

C11H16O2 — CID 11367354

IUPAC5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCC1C2=C(OCCC2)C(=O)C1C
InChIInChI=1S/C11H16O2/c1-3-8-7(2)10(12)11-9(8)5-4-6-13-11/h7-8H,3-6H2,1-2H3
InChIKeyXQGKOBZETJSJEB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds1

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

5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 11367354) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID11367354
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCC1C2=C(OCCC2)C(=O)C1C
InChIInChI=1S/C11H16O2/c1-3-8-7(2)10(12)11-9(8)5-4-6-13-11/h7-8H,3-6H2,1-2H3
InChIKeyXQGKOBZETJSJEB-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-Furo[3,2-g][1]benzopyran-4,9(5H)-dione, 2,3,6,7-tetrahydro-3-methyl-6-(1-methylethyl)-
CID 621732
5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11412478
(6S)-6-hexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 25223926
(6S)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 93508358
(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 101274655
(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284592
(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135055622
6,6-Dimethyl-2,3,4,5,6,7-hexahydrobenzo[b]furan-3,4-dione
CID 905888
6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 12141478
1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
CID 534313
5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 72779981
(6R)-2,3-dimethoxy-5-methyl-6-(3-methylbutyl)cyclohex-2-ene-1,4-dione
CID 70680587

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 11367354) is 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CCC1C2=C(OCCC2)C(=O)C1C.
What is the InChIKey of 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is XQGKOBZETJSJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-8-7(2)10(12)11-9(8)5-4-6-13-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 11367354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).