1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione

C12H18O3 — CID 15113072

IUPAC1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione
SMILESCCOC12CC(=O)C(CC1=O)C(C)(C)C2
InChIInChI=1S/C12H18O3/c1-4-15-12-6-9(13)8(5-10(12)14)11(2,3)7-12/h8H,4-7H2,1-3H3
InChIKeyGLVKFIPBJFNMLF-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.74
Rot. Bonds2

About 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione

1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione (PubChem CID 15113072) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione.

Molecular Properties

Compound Name1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione
PubChem CID15113072
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione
SMILESCCOC12CC(=O)C(CC1=O)C(C)(C)C2
InChIInChI=1S/C12H18O3/c1-4-15-12-6-9(13)8(5-10(12)14)11(2,3)7-12/h8H,4-7H2,1-3H3
InChIKeyGLVKFIPBJFNMLF-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxybicyclo[3.2.2]nonan-2-one
CID 10773781
3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
CID 65170456
4-ethoxy-4-methylazetidin-2-one
CID 141017453
3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one
CID 66369255
2-chloro-3-ethoxy-2-methylcyclobutan-1-one
CID 130038321
(1S,4R,5S)-5-chloro-4,7,7-trimethylbicyclo[2.2.2]octan-2-one
CID 130884699
4-fluoro-5,5-dimethylcyclohexane-1,3-dione
CID 14326953
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
2-(1-ethoxycyclopentyl)-1,4-dihydroimidazol-5-one
CID 106951771
2-ethoxy-2-methyl-1,3-dioxan-5-one
CID 25205700
2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one
CID 81414978

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione?
The IUPAC name of 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione (CID 15113072) is 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione.
What is the SMILES notation for 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione?
The canonical SMILES for 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione is CCOC12CC(=O)C(CC1=O)C(C)(C)C2.
What is the InChIKey of 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione?
The InChIKey is GLVKFIPBJFNMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-15-12-6-9(13)8(5-10(12)14)11(2,3)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione?
1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione has a molecular weight of 210.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-8,8-dimethylbicyclo[2.2.2]octane-2,5-dione is sourced from PubChem (CID 15113072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).