1-(2,6-dimethyl-2H-pyran-5-yl)ethanone

C9H12O2 — CID 12500718

IUPAC1-(2,6-dimethyl-2H-pyran-5-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)C=C1
InChIInChI=1S/C9H12O2/c1-6-4-5-9(7(2)10)8(3)11-6/h4-6H,1-3H3
InChIKeyOLUIPPIFKRFXHH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone

1-(2,6-dimethyl-2H-pyran-5-yl)ethanone (PubChem CID 12500718) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-2H-pyran-5-yl)ethanone
PubChem CID12500718
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(2,6-dimethyl-2H-pyran-5-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)C=C1
InChIInChI=1S/C9H12O2/c1-6-4-5-9(7(2)10)8(3)11-6/h4-6H,1-3H3
InChIKeyOLUIPPIFKRFXHH-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone (CID 12500718) is 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone is CC(=O)C1=C(C)OC(C)C=C1.
What is the InChIKey of 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone?
The InChIKey is OLUIPPIFKRFXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-4-5-9(7(2)10)8(3)11-6/h4-6H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone?
1-(2,6-dimethyl-2H-pyran-5-yl)ethanone has a molecular weight of 152.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-2H-pyran-5-yl)ethanone is sourced from PubChem (CID 12500718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).