6-(methoxymethyl)bicyclo[2.2.2]octan-2-one

C10H16O2 — CID 130037347

IUPAC6-(methoxymethyl)bicyclo[2.2.2]octan-2-one
SMILESCOCC1CC2CCC1C(=O)C2
InChIInChI=1S/C10H16O2/c1-12-6-8-4-7-2-3-9(8)10(11)5-7/h7-9H,2-6H2,1H3
InChIKeyKUPBJOWBQSKGDL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds2

About 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one

6-(methoxymethyl)bicyclo[2.2.2]octan-2-one (PubChem CID 130037347) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name6-(methoxymethyl)bicyclo[2.2.2]octan-2-one
PubChem CID130037347
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-(methoxymethyl)bicyclo[2.2.2]octan-2-one
SMILESCOCC1CC2CCC1C(=O)C2
InChIInChI=1S/C10H16O2/c1-12-6-8-4-7-2-3-9(8)10(11)5-7/h7-9H,2-6H2,1H3
InChIKeyKUPBJOWBQSKGDL-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one?
The IUPAC name of 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one (CID 130037347) is 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one?
The canonical SMILES for 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one is COCC1CC2CCC1C(=O)C2.
What is the InChIKey of 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one?
The InChIKey is KUPBJOWBQSKGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-12-6-8-4-7-2-3-9(8)10(11)5-7/h7-9H,2-6H2,1H3.
What are the key properties of 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one?
6-(methoxymethyl)bicyclo[2.2.2]octan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)bicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 130037347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).