4-methoxy-1-methylbicyclo[2.2.2]octan-2-one

C10H16O2 — CID 535116

IUPAC4-methoxy-1-methylbicyclo[2.2.2]octan-2-one
SMILESCOC12CCC(C)(CC1)C(=O)C2
InChIInChI=1S/C10H16O2/c1-9-3-5-10(12-2,6-4-9)7-8(9)11/h3-7H2,1-2H3
InChIKeyBPXNBGGPRHBUNH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds1

About 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one

4-methoxy-1-methylbicyclo[2.2.2]octan-2-one (PubChem CID 535116) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name4-methoxy-1-methylbicyclo[2.2.2]octan-2-one
PubChem CID535116
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methoxy-1-methylbicyclo[2.2.2]octan-2-one
SMILESCOC12CCC(C)(CC1)C(=O)C2
InChIInChI=1S/C10H16O2/c1-9-3-5-10(12-2,6-4-9)7-8(9)11/h3-7H2,1-2H3
InChIKeyBPXNBGGPRHBUNH-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one
CID 102216284
1-methoxy-5-methylbicyclo[3.2.1]octan-6-one
CID 13108605
5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one
CID 602970
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2-oxobicyclo[2.2.2]octane-1-carboxamide
CID 136588750
(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
CID 96581858
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
6,6-dimethylspiro[2.3]hexan-5-one
CID 178200675
3-methoxy-3-methylazepan-2-one
CID 89257718
(1S,6R)-1-methoxy-5,5-dimethylbicyclo[4.1.0]heptan-2-one
CID 130949681
5,5-dimethylazepan-3-one
CID 82594303
2,2-dimethoxycyclooctan-1-one
CID 54523284

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one?
The IUPAC name of 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one (CID 535116) is 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one is COC12CCC(C)(CC1)C(=O)C2.
What is the InChIKey of 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one?
The InChIKey is BPXNBGGPRHBUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-3-5-10(12-2,6-4-9)7-8(9)11/h3-7H2,1-2H3.
What are the key properties of 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one?
4-methoxy-1-methylbicyclo[2.2.2]octan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 535116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).