10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione

C15H14O6 — CID 14539942

IUPAC10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione
SMILESC=C(C)C1COC2=Cc3oc(=O)ccc3C(=O)C2(OC)O1
InChIInChI=1S/C15H14O6/c1-8(2)11-7-19-12-6-10-9(4-5-13(16)20-10)14(17)15(12,18-3)21-11/h4-6,11H,1,7H2,2-3H3
InChIKeyAFWDOXKNPPBFPP-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.51
Rot. Bonds2

About 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione

10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione (PubChem CID 14539942) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione.

Molecular Properties

Compound Name10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione
PubChem CID14539942
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione
SMILESC=C(C)C1COC2=Cc3oc(=O)ccc3C(=O)C2(OC)O1
InChIInChI=1S/C15H14O6/c1-8(2)11-7-19-12-6-10-9(4-5-13(16)20-10)14(17)15(12,18-3)21-11/h4-6,11H,1,7H2,2-3H3
InChIKeyAFWDOXKNPPBFPP-UHFFFAOYSA-N
XLogP1.51
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
The IUPAC name of 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione (CID 14539942) is 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione.
What is the SMILES notation for 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
The canonical SMILES for 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione is C=C(C)C1COC2=Cc3oc(=O)ccc3C(=O)C2(OC)O1.
What is the InChIKey of 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
The InChIKey is AFWDOXKNPPBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-8(2)11-7-19-12-6-10-9(4-5-13(16)20-10)14(17)15(12,18-3)21-11/h4-6,11H,1,7H2,2-3H3.
What are the key properties of 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione has a molecular weight of 290.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione is sourced from PubChem (CID 14539942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).