2-ethyl-5,6,6-trimethylpyran-3-one

C10H16O2 — CID 130028025

IUPAC2-ethyl-5,6,6-trimethylpyran-3-one
SMILESCCC1OC(C)(C)C(C)=CC1=O
InChIInChI=1S/C10H16O2/c1-5-9-8(11)6-7(2)10(3,4)12-9/h6,9H,5H2,1-4H3
InChIKeySHUWIGTWBAIPSC-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds1

About 2-ethyl-5,6,6-trimethylpyran-3-one

2-ethyl-5,6,6-trimethylpyran-3-one (PubChem CID 130028025) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-5,6,6-trimethylpyran-3-one.

Molecular Properties

Compound Name2-ethyl-5,6,6-trimethylpyran-3-one
PubChem CID130028025
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethyl-5,6,6-trimethylpyran-3-one
SMILESCCC1OC(C)(C)C(C)=CC1=O
InChIInChI=1S/C10H16O2/c1-5-9-8(11)6-7(2)10(3,4)12-9/h6,9H,5H2,1-4H3
InChIKeySHUWIGTWBAIPSC-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 11182856
Agn-PC-00B8Q3
CID 11542929
4-ethyl-3-propyl-2H-pyran-5-one
CID 11745027
[(1,3,5-Trimethyl-4-oxocyclohexa-2,5-dien-1-yl)oxy]acetaldehyde
CID 57355109
6-Acetyl-2,3,6-trimethyl-5,6-dihydropyran
CID 129792870
1-(5-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 21986131
1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 23352854
6-ethyl-2H-pyran-5-one
CID 53720178
6,6-dimethyl-2H-pyran-5-one
CID 57044362
2-tert-butyl-6-methyl-2H-pyran-5-one
CID 66799576
3,6-di(propan-2-yl)-2H-pyran-5-one
CID 69879814
3,6-dimethyl-2H-pyran-5-one
CID 69885850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,6-trimethylpyran-3-one?
The IUPAC name of 2-ethyl-5,6,6-trimethylpyran-3-one (CID 130028025) is 2-ethyl-5,6,6-trimethylpyran-3-one.
What is the SMILES notation for 2-ethyl-5,6,6-trimethylpyran-3-one?
The canonical SMILES for 2-ethyl-5,6,6-trimethylpyran-3-one is CCC1OC(C)(C)C(C)=CC1=O.
What is the InChIKey of 2-ethyl-5,6,6-trimethylpyran-3-one?
The InChIKey is SHUWIGTWBAIPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-9-8(11)6-7(2)10(3,4)12-9/h6,9H,5H2,1-4H3.
What are the key properties of 2-ethyl-5,6,6-trimethylpyran-3-one?
2-ethyl-5,6,6-trimethylpyran-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,6-trimethylpyran-3-one is sourced from PubChem (CID 130028025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).