6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one

C9H14O2 — CID 10261291

IUPAC6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)C(C)CO1
InChIInChI=1S/C9H14O2/c1-4-8-7(3)9(10)6(2)5-11-8/h6H,4-5H2,1-3H3
InChIKeyXHOFOZQOGXCTPA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds1

About 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one

6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one (PubChem CID 10261291) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
PubChem CID10261291
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)C(C)CO1
InChIInChI=1S/C9H14O2/c1-4-8-7(3)9(10)6(2)5-11-8/h6H,4-5H2,1-3H3
InChIKeyXHOFOZQOGXCTPA-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one (CID 10261291) is 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one is CCC1=C(C)C(=O)C(C)CO1.
What is the InChIKey of 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is XHOFOZQOGXCTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-8-7(3)9(10)6(2)5-11-8/h6H,4-5H2,1-3H3.
What are the key properties of 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 10261291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).