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

C11H12O6 — CID 18374001

IUPAC6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid
SMILESC=C1C(=O)OC2(C)CC(C(=O)O)(C(=O)O)CC12
InChIInChI=1S/C11H12O6/c1-5-6-3-11(8(13)14,9(15)16)4-10(6,2)17-7(5)12/h6H,1,3-4H2,2H3,(H,13,14)(H,15,16)
InChIKeyAHLRCEHVZCMYRV-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.42
Rot. Bonds2

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

6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid (PubChem CID 18374001) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid.

Molecular Properties

Compound Name6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid
PubChem CID18374001
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid
SMILESC=C1C(=O)OC2(C)CC(C(=O)O)(C(=O)O)CC12
InChIInChI=1S/C11H12O6/c1-5-6-3-11(8(13)14,9(15)16)4-10(6,2)17-7(5)12/h6H,1,3-4H2,2H3,(H,13,14)(H,15,16)
InChIKeyAHLRCEHVZCMYRV-UHFFFAOYSA-N
XLogP0.42
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid?
The IUPAC name of 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid (CID 18374001) is 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid.
What is the SMILES notation for 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid?
The canonical SMILES for 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid is C=C1C(=O)OC2(C)CC(C(=O)O)(C(=O)O)CC12.
What is the InChIKey of 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid?
The InChIKey is AHLRCEHVZCMYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-5-6-3-11(8(13)14,9(15)16)4-10(6,2)17-7(5)12/h6H,1,3-4H2,2H3,(H,13,14)(H,15,16).
What are the key properties of 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid?
6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-3-methylidene-2-oxo-4,6-dihydro-3aH-cyclopenta[b]furan-5,5-dicarboxylic acid is sourced from PubChem (CID 18374001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).