1-(6-methyl-2H-pyran-3-yl)ethanone

C8H10O2 — CID 90116294

IUPAC1-(6-methyl-2H-pyran-3-yl)ethanone
SMILESCC(=O)C1=CC=C(C)OC1
InChIInChI=1S/C8H10O2/c1-6-3-4-8(5-10-6)7(2)9/h3-4H,5H2,1-2H3
InChIKeyADUQQICPCHVWGW-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds1

About 1-(6-methyl-2H-pyran-3-yl)ethanone

1-(6-methyl-2H-pyran-3-yl)ethanone (PubChem CID 90116294) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(6-methyl-2H-pyran-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2H-pyran-3-yl)ethanone
PubChem CID90116294
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(6-methyl-2H-pyran-3-yl)ethanone
SMILESCC(=O)C1=CC=C(C)OC1
InChIInChI=1S/C8H10O2/c1-6-3-4-8(5-10-6)7(2)9/h3-4H,5H2,1-2H3
InChIKeyADUQQICPCHVWGW-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2H-pyran-3-yl)ethanone?
The IUPAC name of 1-(6-methyl-2H-pyran-3-yl)ethanone (CID 90116294) is 1-(6-methyl-2H-pyran-3-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2H-pyran-3-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2H-pyran-3-yl)ethanone is CC(=O)C1=CC=C(C)OC1.
What is the InChIKey of 1-(6-methyl-2H-pyran-3-yl)ethanone?
The InChIKey is ADUQQICPCHVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-3-4-8(5-10-6)7(2)9/h3-4H,5H2,1-2H3.
What are the key properties of 1-(6-methyl-2H-pyran-3-yl)ethanone?
1-(6-methyl-2H-pyran-3-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2H-pyran-3-yl)ethanone is sourced from PubChem (CID 90116294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).