2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran

C16H22O2 — CID 5257441

IUPAC2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran
SMILESCC1=CC(C)(C2(C)C=C(C)OC(C)=C2)C=C(C)O1
InChIInChI=1S/C16H22O2/c1-11-7-15(5,8-12(2)17-11)16(6)9-13(3)18-14(4)10-16/h7-10H,1-6H3
InChIKeyWUGHCNSVFNHUAI-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.67
Rot. Bonds1

About 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran

2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran (PubChem CID 5257441) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran.

Molecular Properties

Compound Name2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran
PubChem CID5257441
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran
SMILESCC1=CC(C)(C2(C)C=C(C)OC(C)=C2)C=C(C)O1
InChIInChI=1S/C16H22O2/c1-11-7-15(5,8-12(2)17-11)16(6)9-13(3)18-14(4)10-16/h7-10H,1-6H3
InChIKeyWUGHCNSVFNHUAI-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran?
The IUPAC name of 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran (CID 5257441) is 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran.
What is the SMILES notation for 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran?
The canonical SMILES for 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran is CC1=CC(C)(C2(C)C=C(C)OC(C)=C2)C=C(C)O1.
What is the InChIKey of 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran?
The InChIKey is WUGHCNSVFNHUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-7-15(5,8-12(2)17-11)16(6)9-13(3)18-14(4)10-16/h7-10H,1-6H3.
What are the key properties of 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran?
2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran has a molecular weight of 246.35 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-4-(2,4,6-trimethylpyran-4-yl)pyran is sourced from PubChem (CID 5257441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).