diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate

C15H20O6 — CID 85068629

IUPACdiethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate
SMILESC=C1C(=O)OC2(C)CC(C(=O)OCC)(C(=O)OCC)CC12
InChIInChI=1S/C15H20O6/c1-5-19-12(17)15(13(18)20-6-2)7-10-9(3)11(16)21-14(10,4)8-15/h10H,3,5-8H2,1-2,4H3
InChIKeyWJPWWWREBQOKIU-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.38
Rot. Bonds4

About diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate

diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate (PubChem CID 85068629) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate
PubChem CID85068629
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namediethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate
SMILESC=C1C(=O)OC2(C)CC(C(=O)OCC)(C(=O)OCC)CC12
InChIInChI=1S/C15H20O6/c1-5-19-12(17)15(13(18)20-6-2)7-10-9(3)11(16)21-14(10,4)8-15/h10H,3,5-8H2,1-2,4H3
InChIKeyWJPWWWREBQOKIU-UHFFFAOYSA-N
XLogP1.38
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate 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

(1S,2R,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
CID 54669754
(1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
CID 54669755
(3aS,4R,6aR)-3a-methoxy-4-(methoxymethyl)-3-methylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 137645893
[(3aR,5R,5aS,6R,8aR,9R,9aR)-6-ethoxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
CID 44409533
dimethyl (3aS,6aS)-3-methylidene-2-oxo-3a,4,6,6a-tetrahydrocyclopenta[b]furan-5,5-dicarboxylate
CID 101774469
dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate
CID 102180156
dimethyl (1R,5S,7S)-6-propan-2-ylidene-10-oxatricyclo[5.2.1.01,5]dec-8-ene-3,3-dicarboxylate
CID 134942099
dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 135006372
ethyl 2-[(1S,4S,5S,8S)-11-methylidene-3,9-dioxatricyclo[6.3.0.01,5]undecan-4-yl]acetate
CID 138984488
diethyl (1R,5S,7S)-6-propan-2-ylidene-10-oxatricyclo[5.2.1.01,5]dec-8-ene-3,3-dicarboxylate
CID 139115708
[(3aR,5R,5aS,6S,8aR,9S,9aR)-6-methoxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
CID 21723765
(6-Methoxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl) acetate
CID 73830745

Frequently Asked Questions

What is the IUPAC name of diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate?
The IUPAC name of diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate (CID 85068629) is diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate.
What is the SMILES notation for diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate?
The canonical SMILES for diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate is C=C1C(=O)OC2(C)CC(C(=O)OCC)(C(=O)OCC)CC12.
What is the InChIKey of diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate?
The InChIKey is WJPWWWREBQOKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-5-19-12(17)15(13(18)20-6-2)7-10-9(3)11(16)21-14(10,4)8-15/h10H,3,5-8H2,1-2,4H3.
What are the key properties of diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate?
diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate has a molecular weight of 296.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylate is sourced from PubChem (CID 85068629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).