3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one

C9H12O3 — CID 14763665

IUPAC3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one
SMILESCC1=CC(=O)C2OC(C)CC12O
InChIInChI=1S/C9H12O3/c1-5-3-7(10)8-9(5,11)4-6(2)12-8/h3,6,8,11H,4H2,1-2H3
InChIKeyJIJPCIRVSPPWRA-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.42
Rot. Bonds

About 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one

3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one (PubChem CID 14763665) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one.

Molecular Properties

Compound Name3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one
PubChem CID14763665
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one
SMILESCC1=CC(=O)C2OC(C)CC12O
InChIInChI=1S/C9H12O3/c1-5-3-7(10)8-9(5,11)4-6(2)12-8/h3,6,8,11H,4H2,1-2H3
InChIKeyJIJPCIRVSPPWRA-UHFFFAOYSA-N
XLogP0.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
The IUPAC name of 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one (CID 14763665) is 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one.
What is the SMILES notation for 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
The canonical SMILES for 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one is CC1=CC(=O)C2OC(C)CC12O.
What is the InChIKey of 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
The InChIKey is JIJPCIRVSPPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-3-7(10)8-9(5,11)4-6(2)12-8/h3,6,8,11H,4H2,1-2H3.
What are the key properties of 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one?
3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one has a molecular weight of 168.19 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-hydroxy-2,4-dimethyl-3,6a-dihydro-2H-cyclopenta[b]furan-6-one is sourced from PubChem (CID 14763665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).