1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone

C11H16O3 — CID 132524696

IUPAC1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone
SMILESCO[C@]12OCC[C@@]1(C)C=C[C@@H]2C(C)=O
InChIInChI=1S/C11H16O3/c1-8(12)9-4-5-10(2)6-7-14-11(9,10)13-3/h4-5,9H,6-7H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyMFRFFKXMBARWJQ-GMTAPVOTSA-N
MW196.25 g/mol
LogP1.53
Rot. Bonds2

About 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone

1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone (PubChem CID 132524696) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone.

Molecular Properties

Compound Name1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone
PubChem CID132524696
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone
SMILESCO[C@]12OCC[C@@]1(C)C=C[C@@H]2C(C)=O
InChIInChI=1S/C11H16O3/c1-8(12)9-4-5-10(2)6-7-14-11(9,10)13-3/h4-5,9H,6-7H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyMFRFFKXMBARWJQ-GMTAPVOTSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone 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

1-[(3aS,4R,6aR)-3-methoxy-3a-methyl-1,3,4,6a-tetrahydrocyclopenta[c]furan-4-yl]propan-2-one
CID 10932720
methyl (3aS,6S,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-carboxylate
CID 11148302

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone?
The IUPAC name of 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone (CID 132524696) is 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone.
What is the SMILES notation for 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone?
The canonical SMILES for 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone is CO[C@]12OCC[C@@]1(C)C=C[C@@H]2C(C)=O.
What is the InChIKey of 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone?
The InChIKey is MFRFFKXMBARWJQ-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(12)9-4-5-10(2)6-7-14-11(9,10)13-3/h4-5,9H,6-7H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone?
1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone has a molecular weight of 196.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6R,6aR)-6a-methoxy-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6-yl]ethanone is sourced from PubChem (CID 132524696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).