4-methyl-6-(2-methylpropyl)pyran-2-one

C10H14O2 — CID 6429146

IUPAC4-methyl-6-(2-methylpropyl)pyran-2-one
SMILESCc1cc(CC(C)C)oc(=O)c1
InChIInChI=1S/C10H14O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3
InChIKeyUGRSXCWBFBZVEP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.15
Rot. Bonds2

About 4-methyl-6-(2-methylpropyl)pyran-2-one

4-methyl-6-(2-methylpropyl)pyran-2-one (PubChem CID 6429146) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methyl-6-(2-methylpropyl)pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(2-methylpropyl)pyran-2-one
PubChem CID6429146
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-methyl-6-(2-methylpropyl)pyran-2-one
SMILESCc1cc(CC(C)C)oc(=O)c1
InChIInChI=1S/C10H14O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3
InChIKeyUGRSXCWBFBZVEP-UHFFFAOYSA-N
XLogP2.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.15
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-methylpropyl)pyran-2-one?
The IUPAC name of 4-methyl-6-(2-methylpropyl)pyran-2-one (CID 6429146) is 4-methyl-6-(2-methylpropyl)pyran-2-one.
What is the SMILES notation for 4-methyl-6-(2-methylpropyl)pyran-2-one?
The canonical SMILES for 4-methyl-6-(2-methylpropyl)pyran-2-one is Cc1cc(CC(C)C)oc(=O)c1.
What is the InChIKey of 4-methyl-6-(2-methylpropyl)pyran-2-one?
The InChIKey is UGRSXCWBFBZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3.
What are the key properties of 4-methyl-6-(2-methylpropyl)pyran-2-one?
4-methyl-6-(2-methylpropyl)pyran-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylpropyl)pyran-2-one is sourced from PubChem (CID 6429146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).