3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one

C11H14O2 — CID 11679905

IUPAC3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one
SMILESCC(C)=Cc1cc(C)c(C)c(=O)o1
InChIInChI=1S/C11H14O2/c1-7(2)5-10-6-8(3)9(4)11(12)13-10/h5-6H,1-4H3
InChIKeyXBURRZXVZFQVIO-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.68
Rot. Bonds1

About 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one

3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one (PubChem CID 11679905) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one.

Molecular Properties

Compound Name3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one
PubChem CID11679905
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one
SMILESCC(C)=Cc1cc(C)c(C)c(=O)o1
InChIInChI=1S/C11H14O2/c1-7(2)5-10-6-8(3)9(4)11(12)13-10/h5-6H,1-4H3
InChIKeyXBURRZXVZFQVIO-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one?
The IUPAC name of 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one (CID 11679905) is 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one.
What is the SMILES notation for 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one?
The canonical SMILES for 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one is CC(C)=Cc1cc(C)c(C)c(=O)o1.
What is the InChIKey of 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one?
The InChIKey is XBURRZXVZFQVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)5-10-6-8(3)9(4)11(12)13-10/h5-6H,1-4H3.
What are the key properties of 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one?
3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one is sourced from PubChem (CID 11679905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).