2-ethyl-6-methyl-2,3-dihydropyran-4-one

C8H12O2 — CID 11434994

IUPAC2-ethyl-6-methyl-2,3-dihydropyran-4-one
SMILESCCC1CC(=O)C=C(C)O1
InChIInChI=1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h4,8H,3,5H2,1-2H3
InChIKeyKLZXRAVGUVHREK-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

About 2-ethyl-6-methyl-2,3-dihydropyran-4-one

2-ethyl-6-methyl-2,3-dihydropyran-4-one (PubChem CID 11434994) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-ethyl-6-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-2,3-dihydropyran-4-one
PubChem CID11434994
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-ethyl-6-methyl-2,3-dihydropyran-4-one
SMILESCCC1CC(=O)C=C(C)O1
InChIInChI=1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h4,8H,3,5H2,1-2H3
InChIKeyKLZXRAVGUVHREK-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-ethyl-6-methyl-2,3-dihydropyran-4-one (CID 11434994) is 2-ethyl-6-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-ethyl-6-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-ethyl-6-methyl-2,3-dihydropyran-4-one is CCC1CC(=O)C=C(C)O1.
What is the InChIKey of 2-ethyl-6-methyl-2,3-dihydropyran-4-one?
The InChIKey is KLZXRAVGUVHREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h4,8H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-2,3-dihydropyran-4-one?
2-ethyl-6-methyl-2,3-dihydropyran-4-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11434994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).