4-methyl-6-(2-methylprop-1-enyl)pyran-2-one

C10H12O2 — CID 13480869

IUPAC4-methyl-6-(2-methylprop-1-enyl)pyran-2-one
SMILESCC(C)=Cc1cc(C)cc(=O)o1
InChIInChI=1S/C10H12O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h4-6H,1-3H3
InChIKeyBOYCIJXFRURCND-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.37
Rot. Bonds1

About 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one

4-methyl-6-(2-methylprop-1-enyl)pyran-2-one (PubChem CID 13480869) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(2-methylprop-1-enyl)pyran-2-one
PubChem CID13480869
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-methyl-6-(2-methylprop-1-enyl)pyran-2-one
SMILESCC(C)=Cc1cc(C)cc(=O)o1
InChIInChI=1S/C10H12O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h4-6H,1-3H3
InChIKeyBOYCIJXFRURCND-UHFFFAOYSA-N
XLogP2.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one?
The IUPAC name of 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one (CID 13480869) is 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one.
What is the SMILES notation for 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one?
The canonical SMILES for 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one is CC(C)=Cc1cc(C)cc(=O)o1.
What is the InChIKey of 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one?
The InChIKey is BOYCIJXFRURCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h4-6H,1-3H3.
What are the key properties of 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one?
4-methyl-6-(2-methylprop-1-enyl)pyran-2-one has a molecular weight of 164.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylprop-1-enyl)pyran-2-one is sourced from PubChem (CID 13480869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).