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

C10H10O5 — CID 59355687

IUPAC4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one
SMILESCC1=CC(O/C=C2\CCOC2=O)OC1=O
InChIInChI=1S/C10H10O5/c1-6-4-8(15-9(6)11)14-5-7-2-3-13-10(7)12/h4-5,8H,2-3H2,1H3/b7-5+
InChIKeyNDWPKMWPKZRZFO-FNORWQNLSA-N
MW210.19 g/mol
LogP0.66
Rot. Bonds2

About 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one

4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one (PubChem CID 59355687) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one
PubChem CID59355687
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one
SMILESCC1=CC(O/C=C2\CCOC2=O)OC1=O
InChIInChI=1S/C10H10O5/c1-6-4-8(15-9(6)11)14-5-7-2-3-13-10(7)12/h4-5,8H,2-3H2,1H3/b7-5+
InChIKeyNDWPKMWPKZRZFO-FNORWQNLSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one?
The IUPAC name of 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one (CID 59355687) is 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one is CC1=CC(O/C=C2\CCOC2=O)OC1=O.
What is the InChIKey of 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one?
The InChIKey is NDWPKMWPKZRZFO-FNORWQNLSA-N. The full InChI is InChI=1S/C10H10O5/c1-6-4-8(15-9(6)11)14-5-7-2-3-13-10(7)12/h4-5,8H,2-3H2,1H3/b7-5+.
What are the key properties of 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one?
4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-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 4-methyl-2-[(E)-(2-oxooxolan-3-ylidene)methoxy]-2H-furan-5-one is sourced from PubChem (CID 59355687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).