6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one

C11H14O5 — CID 162966874

IUPAC6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one
SMILESCOc1cc(C=CC(O)C(C)O)oc(=O)c1
InChIInChI=1S/C11H14O5/c1-7(12)10(13)4-3-8-5-9(15-2)6-11(14)16-8/h3-7,10,12-13H,1-2H3
InChIKeyRYVWLCXNTHEJGR-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.40
Rot. Bonds4

About 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one

6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one (PubChem CID 162966874) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one
PubChem CID162966874
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one
SMILESCOc1cc(C=CC(O)C(C)O)oc(=O)c1
InChIInChI=1S/C11H14O5/c1-7(12)10(13)4-3-8-5-9(15-2)6-11(14)16-8/h3-7,10,12-13H,1-2H3
InChIKeyRYVWLCXNTHEJGR-UHFFFAOYSA-N
XLogP0.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one?
The IUPAC name of 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one (CID 162966874) is 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one.
What is the SMILES notation for 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one?
The canonical SMILES for 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one is COc1cc(C=CC(O)C(C)O)oc(=O)c1.
What is the InChIKey of 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one?
The InChIKey is RYVWLCXNTHEJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-7(12)10(13)4-3-8-5-9(15-2)6-11(14)16-8/h3-7,10,12-13H,1-2H3.
What are the key properties of 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one?
6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one has a molecular weight of 226.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydroxypent-1-enyl)-4-methoxypyran-2-one is sourced from PubChem (CID 162966874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).