[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate

C13H16O6 — CID 44604723

IUPAC[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate
SMILESCOC1=CC(=O)O/C1=C(/COC(C)=O)C(C)C(C)=O
InChIInChI=1S/C13H16O6/c1-7(8(2)14)10(6-18-9(3)15)13-11(17-4)5-12(16)19-13/h5,7H,6H2,1-4H3/b13-10-
InChIKeyUJJFPFBKMYTWKC-RAXLEYEMSA-N
MW268.26 g/mol
LogP1.12
Rot. Bonds5

About [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate

[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate (PubChem CID 44604723) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate.

Molecular Properties

Compound Name[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate
PubChem CID44604723
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate
SMILESCOC1=CC(=O)O/C1=C(/COC(C)=O)C(C)C(C)=O
InChIInChI=1S/C13H16O6/c1-7(8(2)14)10(6-18-9(3)15)13-11(17-4)5-12(16)19-13/h5,7H,6H2,1-4H3/b13-10-
InChIKeyUJJFPFBKMYTWKC-RAXLEYEMSA-N
XLogP1.12
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate?
The IUPAC name of [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate (CID 44604723) is [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate.
What is the SMILES notation for [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate?
The canonical SMILES for [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate is COC1=CC(=O)O/C1=C(/COC(C)=O)C(C)C(C)=O.
What is the InChIKey of [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate?
The InChIKey is UJJFPFBKMYTWKC-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H16O6/c1-7(8(2)14)10(6-18-9(3)15)13-11(17-4)5-12(16)19-13/h5,7H,6H2,1-4H3/b13-10-.
What are the key properties of [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate?
[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate has a molecular weight of 268.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate is sourced from PubChem (CID 44604723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).