5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one

C10H14O2 — CID 71377791

IUPAC5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one
SMILESCC1(C)CC(=O)C2=C1CCCO2
InChIInChI=1S/C10H14O2/c1-10(2)6-8(11)9-7(10)4-3-5-12-9/h3-6H2,1-2H3
InChIKeyQEWDVFCBGMYBHO-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds

About 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one

5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one (PubChem CID 71377791) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one
PubChem CID71377791
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one
SMILESCC1(C)CC(=O)C2=C1CCCO2
InChIInChI=1S/C10H14O2/c1-10(2)6-8(11)9-7(10)4-3-5-12-9/h3-6H2,1-2H3
InChIKeyQEWDVFCBGMYBHO-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-Methoxy-3,5,5-trimethyl-2-cyclohexenone
CID 11768958
5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 72779981
(5aR,8aS)-7,7-dimethyl-2,3,5a,6,8,8a-hexahydro-1H-pentaleno[2,1-b]pyran-5-one
CID 11195103
5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11240800

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one?
The IUPAC name of 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one (CID 71377791) is 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one.
What is the SMILES notation for 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one?
The canonical SMILES for 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one is CC1(C)CC(=O)C2=C1CCCO2.
What is the InChIKey of 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one?
The InChIKey is QEWDVFCBGMYBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2)6-8(11)9-7(10)4-3-5-12-9/h3-6H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one?
5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one has a molecular weight of 166.22 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one is sourced from PubChem (CID 71377791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).