1-methoxy-4-methylbicyclo[2.2.2]octane

C10H18O — CID 23049

IUPAC1-methoxy-4-methylbicyclo[2.2.2]octane
SMILESCOC12CCC(C)(CC1)CC2
InChIInChI=1S/C10H18O/c1-9-3-6-10(11-2,7-4-9)8-5-9/h3-8H2,1-2H3
InChIKeyNXGYBOISDZEYCB-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.75
Rot. Bonds1

About 1-methoxy-4-methylbicyclo[2.2.2]octane

1-methoxy-4-methylbicyclo[2.2.2]octane (PubChem CID 23049) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methoxy-4-methylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-methoxy-4-methylbicyclo[2.2.2]octane
PubChem CID23049
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methoxy-4-methylbicyclo[2.2.2]octane
SMILESCOC12CCC(C)(CC1)CC2
InChIInChI=1S/C10H18O/c1-9-3-6-10(11-2,7-4-9)8-5-9/h3-8H2,1-2H3
InChIKeyNXGYBOISDZEYCB-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbicyclo[2.2.2]octane?
The IUPAC name of 1-methoxy-4-methylbicyclo[2.2.2]octane (CID 23049) is 1-methoxy-4-methylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-methoxy-4-methylbicyclo[2.2.2]octane?
The canonical SMILES for 1-methoxy-4-methylbicyclo[2.2.2]octane is COC12CCC(C)(CC1)CC2.
What is the InChIKey of 1-methoxy-4-methylbicyclo[2.2.2]octane?
The InChIKey is NXGYBOISDZEYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9-3-6-10(11-2,7-4-9)8-5-9/h3-8H2,1-2H3.
What are the key properties of 1-methoxy-4-methylbicyclo[2.2.2]octane?
1-methoxy-4-methylbicyclo[2.2.2]octane has a molecular weight of 154.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbicyclo[2.2.2]octane is sourced from PubChem (CID 23049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).