5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one

C10H10O5 — CID 6256255

IUPAC5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one
SMILESCC1(O/C=C2\CCOC2=O)C=CC(=O)O1
InChIInChI=1S/C10H10O5/c1-10(4-2-8(11)15-10)14-6-7-3-5-13-9(7)12/h2,4,6H,3,5H2,1H3/b7-6+
InChIKeyMCKWNOIQEHHUHH-VOTSOKGWSA-N
MW210.19 g/mol
LogP0.66
Rot. Bonds2

About 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one

5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one (PubChem CID 6256255) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one.

Molecular Properties

Compound Name5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one
PubChem CID6256255
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one
SMILESCC1(O/C=C2\CCOC2=O)C=CC(=O)O1
InChIInChI=1S/C10H10O5/c1-10(4-2-8(11)15-10)14-6-7-3-5-13-9(7)12/h2,4,6H,3,5H2,1H3/b7-6+
InChIKeyMCKWNOIQEHHUHH-VOTSOKGWSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one?
The IUPAC name of 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one (CID 6256255) is 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one.
What is the SMILES notation for 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one?
The canonical SMILES for 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one is CC1(O/C=C2\CCOC2=O)C=CC(=O)O1.
What is the InChIKey of 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one?
The InChIKey is MCKWNOIQEHHUHH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10O5/c1-10(4-2-8(11)15-10)14-6-7-3-5-13-9(7)12/h2,4,6H,3,5H2,1H3/b7-6+.
What are the key properties of 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one?
5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one has a molecular weight of 210.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one is sourced from PubChem (CID 6256255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).