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

C10H14O2 — CID 72779981

IUPAC5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1C(=O)C2=C(CCCO2)C1C
InChIInChI=1S/C10H14O2/c1-6-7(2)9(11)10-8(6)4-3-5-12-10/h6-7H,3-5H2,1-2H3
InChIKeyASAHSCIAPMEWEK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds

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

5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 72779981) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID72779981
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1C(=O)C2=C(CCCO2)C1C
InChIInChI=1S/C10H14O2/c1-6-7(2)9(11)10-8(6)4-3-5-12-10/h6-7H,3-5H2,1-2H3
InChIKeyASAHSCIAPMEWEK-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 72779981) is 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CC1C(=O)C2=C(CCCO2)C1C.
What is the InChIKey of 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is ASAHSCIAPMEWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-7(2)9(11)10-8(6)4-3-5-12-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 166.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 72779981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).