4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one

C11H14O3 — CID 170990286

IUPAC4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one
SMILESCC=Cc1oc(=O)c(C)c(OC)c1C
InChIInChI=1S/C11H14O3/c1-5-6-9-7(2)10(13-4)8(3)11(12)14-9/h5-6H,1-4H3
InChIKeyRJOWPPOJBPCLLC-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.30
Rot. Bonds2

About 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one

4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one (PubChem CID 170990286) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one
PubChem CID170990286
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one
SMILESCC=Cc1oc(=O)c(C)c(OC)c1C
InChIInChI=1S/C11H14O3/c1-5-6-9-7(2)10(13-4)8(3)11(12)14-9/h5-6H,1-4H3
InChIKeyRJOWPPOJBPCLLC-UHFFFAOYSA-N
XLogP2.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one?
The IUPAC name of 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one (CID 170990286) is 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one?
The canonical SMILES for 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one is CC=Cc1oc(=O)c(C)c(OC)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one?
The InChIKey is RJOWPPOJBPCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-5-6-9-7(2)10(13-4)8(3)11(12)14-9/h5-6H,1-4H3.
What are the key properties of 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one?
4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one has a molecular weight of 194.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-6-prop-1-enylpyran-2-one is sourced from PubChem (CID 170990286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).