2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one

C12H18O2 — CID 102383326

IUPAC2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one
SMILESCCc1oc(C(C)C)c(C)c(=O)c1C
InChIInChI=1S/C12H18O2/c1-6-10-8(4)11(13)9(5)12(14-10)7(2)3/h7H,6H2,1-5H3
InChIKeyXTJYQKKWTRNGEA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.94
Rot. Bonds2

About 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one

2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one (PubChem CID 102383326) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one
PubChem CID102383326
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one
SMILESCCc1oc(C(C)C)c(C)c(=O)c1C
InChIInChI=1S/C12H18O2/c1-6-10-8(4)11(13)9(5)12(14-10)7(2)3/h7H,6H2,1-5H3
InChIKeyXTJYQKKWTRNGEA-UHFFFAOYSA-N
XLogP2.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one?
The IUPAC name of 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one (CID 102383326) is 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one?
The canonical SMILES for 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one is CCc1oc(C(C)C)c(C)c(=O)c1C.
What is the InChIKey of 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one?
The InChIKey is XTJYQKKWTRNGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-6-10-8(4)11(13)9(5)12(14-10)7(2)3/h7H,6H2,1-5H3.
What are the key properties of 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one?
2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one has a molecular weight of 194.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one is sourced from PubChem (CID 102383326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).