1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one

C10H14O2 — CID 70597901

IUPAC1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one
SMILESCCC(=O)C1=C(C)COC=C1C
InChIInChI=1S/C10H14O2/c1-4-9(11)10-7(2)5-12-6-8(10)3/h5H,4,6H2,1-3H3
InChIKeyHKUDPONMLOLTSA-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds2

About 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one

1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one (PubChem CID 70597901) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one
PubChem CID70597901
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one
SMILESCCC(=O)C1=C(C)COC=C1C
InChIInChI=1S/C10H14O2/c1-4-9(11)10-7(2)5-12-6-8(10)3/h5H,4,6H2,1-3H3
InChIKeyHKUDPONMLOLTSA-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-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 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one?
The IUPAC name of 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one (CID 70597901) is 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one is CCC(=O)C1=C(C)COC=C1C.
What is the InChIKey of 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one?
The InChIKey is HKUDPONMLOLTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-9(11)10-7(2)5-12-6-8(10)3/h5H,4,6H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one?
1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2H-pyran-4-yl)propan-1-one is sourced from PubChem (CID 70597901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).