1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C11H16O3 — CID 564659

IUPAC1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCOC1OC(=O)C2CC(=C(C)C)CC12
InChIInChI=1S/C11H16O3/c1-6(2)7-4-8-9(5-7)11(13-3)14-10(8)12/h8-9,11H,4-5H2,1-3H3
InChIKeyULOAVHXFZFSCDO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.88
Rot. Bonds1

About 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 564659) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID564659
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCOC1OC(=O)C2CC(=C(C)C)CC12
InChIInChI=1S/C11H16O3/c1-6(2)7-4-8-9(5-7)11(13-3)14-10(8)12/h8-9,11H,4-5H2,1-3H3
InChIKeyULOAVHXFZFSCDO-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one with MolForge

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Related Compounds

(1R,2S,5R,6R,7S)-5-propan-2-yloxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 155522202
[(1R,2S,3S,6R,7S)-5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-yl] acetate
CID 139057955
2(3H)-Furanone, 4,5-dihydro-5-methoxy-4-(2,3-dimethyl-2-buten-4-yl)-
CID 534670
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-7-methylene-
CID 556374
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-6-methylene-, trans-
CID 556724
3-Oxabicyclo[3.3.0]octan-2-one, 7-isopropylidene-, E-
CID 597122
3-Oxabicyclo[3.3.0]octan-2-one, 7-neopentylidene-
CID 5374639
[(1S,2R,3R,6S,7R)-5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-yl] acetate
CID 10536337
5-Methoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 13310800
Oxolan-2-yl bicyclo[2.2.1]hept-4-ene-2-carboxylate
CID 23513508
1-Ethoxyethyl bicyclo[2.2.1]hept-4-ene-2-carboxylate
CID 69912910
5-Methoxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 70564298

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 564659) is 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is COC1OC(=O)C2CC(=C(C)C)CC12.
What is the InChIKey of 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is ULOAVHXFZFSCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6(2)7-4-8-9(5-7)11(13-3)14-10(8)12/h8-9,11H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 196.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 564659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).