methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate

C10H10O6 — CID 144538170

IUPACmethyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate
SMILESCOC(=O)C1C(C=O)CC2C(=O)OC(=O)C21
InChIInChI=1S/C10H10O6/c1-15-9(13)6-4(3-11)2-5-7(6)10(14)16-8(5)12/h3-7H,2H2,1H3
InChIKeyABAZVGQPOLSCHP-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.69
Rot. Bonds2

About methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate

methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate (PubChem CID 144538170) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate
PubChem CID144538170
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namemethyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate
SMILESCOC(=O)C1C(C=O)CC2C(=O)OC(=O)C21
InChIInChI=1S/C10H10O6/c1-15-9(13)6-4(3-11)2-5-7(6)10(14)16-8(5)12/h3-7H,2H2,1H3
InChIKeyABAZVGQPOLSCHP-UHFFFAOYSA-N
XLogP-0.69
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Triethyl cyclopentane-1,2,4-tricarboxylate
CID 145511988
dimethyl (1S,2R,3R,5S)-3,5-diformylcyclopentane-1,2-dicarboxylate
CID 10728840
ethyl (1S,3aR,6S,6aS)-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25149470
(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
CID 15627441
Tetraethyl cyclopentane-1,2,3,4-tetracarboxylate
CID 12246926
Methyl hexahydro-1H-cyclopenta[c]furan-5-carboxylate
CID 19039829
1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-5-carboxylic acid
CID 20584024
4,6-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 20681927
Methyl 2,4-diformylcyclopentane-1-carboxylate
CID 23553378
trans-tetraethyl (1R,2R)-cyclopentane-1,2,3,4-tetracarboxylate
CID 53948637
6-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4,5-dicarboxylic acid
CID 53958776
1,3-Dioxohexahydro-1H-cyclopenta[c]furan-4,6-dicarboxylic acid
CID 54193356

Frequently Asked Questions

What is the IUPAC name of methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate?
The IUPAC name of methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate (CID 144538170) is methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate.
What is the SMILES notation for methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate?
The canonical SMILES for methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate is COC(=O)C1C(C=O)CC2C(=O)OC(=O)C21.
What is the InChIKey of methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate?
The InChIKey is ABAZVGQPOLSCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-15-9(13)6-4(3-11)2-5-7(6)10(14)16-8(5)12/h3-7H,2H2,1H3.
What are the key properties of methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate?
methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate has a molecular weight of 226.18 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-formyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-carboxylate is sourced from PubChem (CID 144538170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).