4-ethyl-2,4-dimethylpyran

C9H14O — CID 123819702

IUPAC4-ethyl-2,4-dimethylpyran
SMILESCCC1(C)C=COC(C)=C1
InChIInChI=1S/C9H14O/c1-4-9(3)5-6-10-8(2)7-9/h5-7H,4H2,1-3H3
InChIKeyKHYKZLZYFDCXAB-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.85
Rot. Bonds1

About 4-ethyl-2,4-dimethylpyran

4-ethyl-2,4-dimethylpyran (PubChem CID 123819702) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethylpyran.

Molecular Properties

Compound Name4-ethyl-2,4-dimethylpyran
PubChem CID123819702
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-ethyl-2,4-dimethylpyran
SMILESCCC1(C)C=COC(C)=C1
InChIInChI=1S/C9H14O/c1-4-9(3)5-6-10-8(2)7-9/h5-7H,4H2,1-3H3
InChIKeyKHYKZLZYFDCXAB-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-2,4-dimethylpyran 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-ethyl-2,4-dimethylpyran?
The IUPAC name of 4-ethyl-2,4-dimethylpyran (CID 123819702) is 4-ethyl-2,4-dimethylpyran.
What is the SMILES notation for 4-ethyl-2,4-dimethylpyran?
The canonical SMILES for 4-ethyl-2,4-dimethylpyran is CCC1(C)C=COC(C)=C1.
What is the InChIKey of 4-ethyl-2,4-dimethylpyran?
The InChIKey is KHYKZLZYFDCXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-9(3)5-6-10-8(2)7-9/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,4-dimethylpyran?
4-ethyl-2,4-dimethylpyran has a molecular weight of 138.21 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethylpyran is sourced from PubChem (CID 123819702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).