5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one

C11H14O4 — CID 85085560

IUPAC5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one
SMILESCC=Cc1oc(=O)c(C)c(OC)c1CO
InChIInChI=1S/C11H14O4/c1-4-5-9-8(6-12)10(14-3)7(2)11(13)15-9/h4-5,12H,6H2,1-3H3
InChIKeyCDQMQUYUWYGWRR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.48
Rot. Bonds3

About 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one

5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one (PubChem CID 85085560) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one
PubChem CID85085560
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one
SMILESCC=Cc1oc(=O)c(C)c(OC)c1CO
InChIInChI=1S/C11H14O4/c1-4-5-9-8(6-12)10(14-3)7(2)11(13)15-9/h4-5,12H,6H2,1-3H3
InChIKeyCDQMQUYUWYGWRR-UHFFFAOYSA-N
XLogP1.48
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one (CID 85085560) is 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one is CC=Cc1oc(=O)c(C)c(OC)c1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one?
The InChIKey is CDQMQUYUWYGWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-5-9-8(6-12)10(14-3)7(2)11(13)15-9/h4-5,12H,6H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one?
5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one is sourced from PubChem (CID 85085560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).