4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran

C16H24O2 — CID 66618224

IUPAC4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran
SMILESCC1=CC(C)(C2(C)C=C(C)OC(C)(C)C2)C=CO1
InChIInChI=1S/C16H24O2/c1-12-9-15(5,7-8-17-12)16(6)10-13(2)18-14(3,4)11-16/h7-10H,11H2,1-6H3
InChIKeyVYCGUJXYGLXASW-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.55
Rot. Bonds1

About 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran

4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran (PubChem CID 66618224) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran.

Molecular Properties

Compound Name4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran
PubChem CID66618224
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran
SMILESCC1=CC(C)(C2(C)C=C(C)OC(C)(C)C2)C=CO1
InChIInChI=1S/C16H24O2/c1-12-9-15(5,7-8-17-12)16(6)10-13(2)18-14(3,4)11-16/h7-10H,11H2,1-6H3
InChIKeyVYCGUJXYGLXASW-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran 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-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran?
The IUPAC name of 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran (CID 66618224) is 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran.
What is the SMILES notation for 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran?
The canonical SMILES for 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran is CC1=CC(C)(C2(C)C=C(C)OC(C)(C)C2)C=CO1.
What is the InChIKey of 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran?
The InChIKey is VYCGUJXYGLXASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-9-15(5,7-8-17-12)16(6)10-13(2)18-14(3,4)11-16/h7-10H,11H2,1-6H3.
What are the key properties of 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran?
4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran has a molecular weight of 248.37 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran is sourced from PubChem (CID 66618224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).