2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione

C12H12O4 — CID 5366064

IUPAC2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
SMILESC/C=C/c1cc2c(c(=O)o1)C(=O)CC(C)O2
InChIInChI=1S/C12H12O4/c1-3-4-8-6-10-11(12(14)16-8)9(13)5-7(2)15-10/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeySHGIAYIFKLLQOL-ONEGZZNKSA-N
MW220.22 g/mol
LogP2.03
Rot. Bonds1

About 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione

2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione (PubChem CID 5366064) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione.

Molecular Properties

Compound Name2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
PubChem CID5366064
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
SMILESC/C=C/c1cc2c(c(=O)o1)C(=O)CC(C)O2
InChIInChI=1S/C12H12O4/c1-3-4-8-6-10-11(12(14)16-8)9(13)5-7(2)15-10/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeySHGIAYIFKLLQOL-ONEGZZNKSA-N
XLogP2.03
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
The IUPAC name of 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione (CID 5366064) is 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione.
What is the SMILES notation for 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
The canonical SMILES for 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione is C/C=C/c1cc2c(c(=O)o1)C(=O)CC(C)O2.
What is the InChIKey of 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
The InChIKey is SHGIAYIFKLLQOL-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-4-8-6-10-11(12(14)16-8)9(13)5-7(2)15-10/h3-4,6-7H,5H2,1-2H3/b4-3+.
What are the key properties of 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione has a molecular weight of 220.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione is sourced from PubChem (CID 5366064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).