4,6-diethyl-3,5-dimethyl-2H-pyran

C11H18O — CID 23053441

IUPAC4,6-diethyl-3,5-dimethyl-2H-pyran
SMILESCCC1=C(C)C(CC)=C(C)CO1
InChIInChI=1S/C11H18O/c1-5-10-8(3)7-12-11(6-2)9(10)4/h5-7H2,1-4H3
InChIKeyDVLVZSICUIMKDG-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.43
Rot. Bonds2

About 4,6-diethyl-3,5-dimethyl-2H-pyran

4,6-diethyl-3,5-dimethyl-2H-pyran (PubChem CID 23053441) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4,6-diethyl-3,5-dimethyl-2H-pyran.

Molecular Properties

Compound Name4,6-diethyl-3,5-dimethyl-2H-pyran
PubChem CID23053441
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4,6-diethyl-3,5-dimethyl-2H-pyran
SMILESCCC1=C(C)C(CC)=C(C)CO1
InChIInChI=1S/C11H18O/c1-5-10-8(3)7-12-11(6-2)9(10)4/h5-7H2,1-4H3
InChIKeyDVLVZSICUIMKDG-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-3,5-dimethyl-2H-pyran?
The IUPAC name of 4,6-diethyl-3,5-dimethyl-2H-pyran (CID 23053441) is 4,6-diethyl-3,5-dimethyl-2H-pyran.
What is the SMILES notation for 4,6-diethyl-3,5-dimethyl-2H-pyran?
The canonical SMILES for 4,6-diethyl-3,5-dimethyl-2H-pyran is CCC1=C(C)C(CC)=C(C)CO1.
What is the InChIKey of 4,6-diethyl-3,5-dimethyl-2H-pyran?
The InChIKey is DVLVZSICUIMKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-10-8(3)7-12-11(6-2)9(10)4/h5-7H2,1-4H3.
What are the key properties of 4,6-diethyl-3,5-dimethyl-2H-pyran?
4,6-diethyl-3,5-dimethyl-2H-pyran has a molecular weight of 166.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-3,5-dimethyl-2H-pyran is sourced from PubChem (CID 23053441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).