(3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate

C10H12O5 — CID 57000614

IUPAC(3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate
SMILESC=C(C)C1(OC(C)=O)OC(=O)C=C1OC
InChIInChI=1S/C10H12O5/c1-6(2)10(14-7(3)11)8(13-4)5-9(12)15-10/h5H,1H2,2-4H3
InChIKeySCHFFGBGXLPLEB-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.91
Rot. Bonds3

About (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate

(3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate (PubChem CID 57000614) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate.

Molecular Properties

Compound Name(3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate
PubChem CID57000614
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate
SMILESC=C(C)C1(OC(C)=O)OC(=O)C=C1OC
InChIInChI=1S/C10H12O5/c1-6(2)10(14-7(3)11)8(13-4)5-9(12)15-10/h5H,1H2,2-4H3
InChIKeySCHFFGBGXLPLEB-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate?
The IUPAC name of (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate (CID 57000614) is (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate.
What is the SMILES notation for (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate?
The canonical SMILES for (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate is C=C(C)C1(OC(C)=O)OC(=O)C=C1OC.
What is the InChIKey of (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate?
The InChIKey is SCHFFGBGXLPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-6(2)10(14-7(3)11)8(13-4)5-9(12)15-10/h5H,1H2,2-4H3.
What are the key properties of (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate?
(3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate has a molecular weight of 212.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate is sourced from PubChem (CID 57000614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).