4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one

C14H20O3 — CID 67811651

IUPAC4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one
SMILESCCCc1c(C)c(C2CCCCO2)coc1=O
InChIInChI=1S/C14H20O3/c1-3-6-11-10(2)12(9-17-14(11)15)13-7-4-5-8-16-13/h9,13H,3-8H2,1-2H3
InChIKeyOGORCLKNJUEPDD-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.14
Rot. Bonds3

About 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one

4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one (PubChem CID 67811651) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one.

Molecular Properties

Compound Name4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one
PubChem CID67811651
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one
SMILESCCCc1c(C)c(C2CCCCO2)coc1=O
InChIInChI=1S/C14H20O3/c1-3-6-11-10(2)12(9-17-14(11)15)13-7-4-5-8-16-13/h9,13H,3-8H2,1-2H3
InChIKeyOGORCLKNJUEPDD-UHFFFAOYSA-N
XLogP3.14
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one?
The IUPAC name of 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one (CID 67811651) is 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one.
What is the SMILES notation for 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one?
The canonical SMILES for 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one is CCCc1c(C)c(C2CCCCO2)coc1=O.
What is the InChIKey of 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one?
The InChIKey is OGORCLKNJUEPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-6-11-10(2)12(9-17-14(11)15)13-7-4-5-8-16-13/h9,13H,3-8H2,1-2H3.
What are the key properties of 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one?
4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one has a molecular weight of 236.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxan-2-yl)-3-propylpyran-2-one is sourced from PubChem (CID 67811651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).