4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

C12H14O4 — CID 146683010

IUPAC4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESC/C=C/c1cc2c(c(=O)o1)C(O)CC(C)O2
InChIInChI=1S/C12H14O4/c1-3-4-8-6-10-11(12(14)16-8)9(13)5-7(2)15-10/h3-4,6-7,9,13H,5H2,1-2H3/b4-3+
InChIKeyCJYYHIQJJHOGBG-ONEGZZNKSA-N
MW222.24 g/mol
LogP1.88
Rot. Bonds1

About 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 146683010) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID146683010
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESC/C=C/c1cc2c(c(=O)o1)C(O)CC(C)O2
InChIInChI=1S/C12H14O4/c1-3-4-8-6-10-11(12(14)16-8)9(13)5-7(2)15-10/h3-4,6-7,9,13H,5H2,1-2H3/b4-3+
InChIKeyCJYYHIQJJHOGBG-ONEGZZNKSA-N
XLogP1.88
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 146683010) is 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is C/C=C/c1cc2c(c(=O)o1)C(O)CC(C)O2.
What is the InChIKey of 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is CJYYHIQJJHOGBG-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-4-8-6-10-11(12(14)16-8)9(13)5-7(2)15-10/h3-4,6-7,9,13H,5H2,1-2H3/b4-3+.
What are the key properties of 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 222.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 146683010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).