3,4-dimethoxy-6-methyl-2H-pyran

C8H12O3 — CID 54428845

IUPAC3,4-dimethoxy-6-methyl-2H-pyran
SMILESCOC1=C(OC)COC(C)=C1
InChIInChI=1S/C8H12O3/c1-6-4-7(9-2)8(10-3)5-11-6/h4H,5H2,1-3H3
InChIKeyCEYDOMBQDHCKCR-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.42
Rot. Bonds2

About 3,4-dimethoxy-6-methyl-2H-pyran

3,4-dimethoxy-6-methyl-2H-pyran (PubChem CID 54428845) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3,4-dimethoxy-6-methyl-2H-pyran.

Molecular Properties

Compound Name3,4-dimethoxy-6-methyl-2H-pyran
PubChem CID54428845
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3,4-dimethoxy-6-methyl-2H-pyran
SMILESCOC1=C(OC)COC(C)=C1
InChIInChI=1S/C8H12O3/c1-6-4-7(9-2)8(10-3)5-11-6/h4H,5H2,1-3H3
InChIKeyCEYDOMBQDHCKCR-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-6-methyl-2H-pyran?
The IUPAC name of 3,4-dimethoxy-6-methyl-2H-pyran (CID 54428845) is 3,4-dimethoxy-6-methyl-2H-pyran.
What is the SMILES notation for 3,4-dimethoxy-6-methyl-2H-pyran?
The canonical SMILES for 3,4-dimethoxy-6-methyl-2H-pyran is COC1=C(OC)COC(C)=C1.
What is the InChIKey of 3,4-dimethoxy-6-methyl-2H-pyran?
The InChIKey is CEYDOMBQDHCKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-4-7(9-2)8(10-3)5-11-6/h4H,5H2,1-3H3.
What are the key properties of 3,4-dimethoxy-6-methyl-2H-pyran?
3,4-dimethoxy-6-methyl-2H-pyran has a molecular weight of 156.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-6-methyl-2H-pyran is sourced from PubChem (CID 54428845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).