1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one

C11H18O2 — CID 14023804

IUPAC1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one
SMILESCOC12CCC(CC1)C(C)(C)C2=O
InChIInChI=1S/C11H18O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h8H,4-7H2,1-3H3
InChIKeyGQEGBXAQYFNLCL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.17
Rot. Bonds1

About 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one

1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one (PubChem CID 14023804) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one
PubChem CID14023804
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one
SMILESCOC12CCC(CC1)C(C)(C)C2=O
InChIInChI=1S/C11H18O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h8H,4-7H2,1-3H3
InChIKeyGQEGBXAQYFNLCL-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
(1S,4R)-6-[(E)-2-methoxyethenyl]-1,3,3-trimethylbicyclo[2.2.2]octan-2-one
CID 10561003
(1S,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CID 50897820
(1R,4S)-N-(2-methoxyphenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98137952
N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide
CID 100974416
(1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one
CID 98135519
(3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl chloride
CID 14867274
N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4728638
(1R,4R)-N-(4-methoxyphenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 830402
methyl (1R,5S)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylate
CID 124676840
methyl (1S,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylate
CID 129413553
N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide
CID 101125518

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one?
The IUPAC name of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one (CID 14023804) is 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one is COC12CCC(CC1)C(C)(C)C2=O.
What is the InChIKey of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one?
The InChIKey is GQEGBXAQYFNLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h8H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one?
1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 14023804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).