2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane

C13H24O3 — CID 162428529

IUPAC2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane
SMILESCC1=CCC(C)OC1.CC1COC(C)OC1
InChIInChI=1S/C7H12O.C6H12O2/c1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h3,7H,4-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyQCAKYYJQHYAEPP-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.76
Rot. Bonds

About 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane

2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane (PubChem CID 162428529) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane
PubChem CID162428529
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane
SMILESCC1=CCC(C)OC1.CC1COC(C)OC1
InChIInChI=1S/C7H12O.C6H12O2/c1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h3,7H,4-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyQCAKYYJQHYAEPP-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane with MolForge

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

Launch Full Analysis

Related Compounds

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane
CID 158486808
(2R)-2,5-dimethyl-2,3,6,7-tetrahydrooxepine
CID 174332072
1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;bis(2,5-dimethyloxane);molecular hydrogen
CID 161124152
1,4-dimethylcyclohexene;2,5-dimethyloxane
CID 143612345
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;2,5-dimethylpyrazine
CID 161141310
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);2,5-dimethyl-1,3-dioxane;bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylcyclohexane;molecular hydrogen;dihydrate
CID 161144190
2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158485618
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);tetrakis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
CID 159868427
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;2,5-dimethylpyrimidine
CID 158418990
1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 158990896
tris(1,4-dimethylcyclohexane);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);methane
CID 162214412

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane?
The IUPAC name of 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane (CID 162428529) is 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane is CC1=CCC(C)OC1.CC1COC(C)OC1.
What is the InChIKey of 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane?
The InChIKey is QCAKYYJQHYAEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C6H12O2/c1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h3,7H,4-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane?
2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane has a molecular weight of 228.33 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-dihydro-2H-pyran;2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 162428529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).