[2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate

C15H16O7 — CID 71732353

IUPAC[2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate
SMILESCC(=O)OC1(COC/C=C2\OC(=O)C=C2C)C=CC(=O)CO1
InChIInChI=1S/C15H16O7/c1-10-7-14(18)21-13(10)4-6-19-9-15(22-11(2)16)5-3-12(17)8-20-15/h3-5,7H,6,8-9H2,1-2H3/b13-4-
InChIKeyZDQJVAYLMRKPJK-PQMHYQBVSA-N
MW308.29 g/mol
LogP0.80
Rot. Bonds5

About [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate

[2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate (PubChem CID 71732353) has the molecular formula C15H16O7 and a molecular weight of 308.29 g/mol. Its IUPAC name is [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate.

Molecular Properties

Compound Name[2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate
PubChem CID71732353
Molecular FormulaC15H16O7
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Name[2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate
SMILESCC(=O)OC1(COC/C=C2\OC(=O)C=C2C)C=CC(=O)CO1
InChIInChI=1S/C15H16O7/c1-10-7-14(18)21-13(10)4-6-19-9-15(22-11(2)16)5-3-12(17)8-20-15/h3-5,7H,6,8-9H2,1-2H3/b13-4-
InChIKeyZDQJVAYLMRKPJK-PQMHYQBVSA-N
XLogP0.80
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate with MolForge

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Related Compounds

methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
1,4-Dioxaspiro[4.5]deca-6,9-dien-8-one, 7-methoxy-
CID 556647
Qlgkdnakgubftf-uhfffaoysa-
CID 13153938
Tert-butyl (4-isopropoxy-7-oxocyclohepta-1,3,5-trien-1-yl) carbonate
CID 156285242
Tert-butyl (3-isopropoxy-7-oxocyclohepta-1,3,5-trien-1-yl) carbonate
CID 156285736
Tert-butyl (3-ethoxy-7-oxocyclohepta-1,3,5-trien-1-yl) carbonate
CID 170534276
3-[(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)oxy]-2-methyl-4H-pyran-4-one
CID 122641511
Methyl 4-acetyloxy-4-methoxy-3-oxocyclohexa-1,5-diene-1-carboxylate
CID 11053757
(2-Acetyloxy-5-oxopyran-2-yl)methyl acetate
CID 11447509
ethyl 2,2-dimethoxy-3-methyl-3H-furan-5-carboxylate
CID 13153939
3-Methoxy-5-(2-methyl-1,3-dioxolan-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 16059056
Ethyl 3,4-dimethyl-6-oxopyran-2-carboxylate
CID 45076193

Frequently Asked Questions

What is the IUPAC name of [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate?
The IUPAC name of [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate (CID 71732353) is [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate.
What is the SMILES notation for [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate?
The canonical SMILES for [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate is CC(=O)OC1(COC/C=C2\OC(=O)C=C2C)C=CC(=O)CO1.
What is the InChIKey of [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate?
The InChIKey is ZDQJVAYLMRKPJK-PQMHYQBVSA-N. The full InChI is InChI=1S/C15H16O7/c1-10-7-14(18)21-13(10)4-6-19-9-15(22-11(2)16)5-3-12(17)8-20-15/h3-5,7H,6,8-9H2,1-2H3/b13-4-.
What are the key properties of [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate?
[2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate has a molecular weight of 308.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2Z)-2-(3-methyl-5-oxofuran-2-ylidene)ethoxy]methyl]-5-oxopyran-2-yl] acetate is sourced from PubChem (CID 71732353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).