1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane

C12H22O2 — CID 89178455

IUPAC1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane
SMILESCCOC(C)C12CCC(C)(CC1)CO2
InChIInChI=1S/C12H22O2/c1-4-13-10(2)12-7-5-11(3,6-8-12)9-14-12/h10H,4-9H2,1-3H3
InChIKeyJBVLURAMXWYFJX-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.76
Rot. Bonds3

About 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane

1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane (PubChem CID 89178455) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane
PubChem CID89178455
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane
SMILESCCOC(C)C12CCC(C)(CC1)CO2
InChIInChI=1S/C12H22O2/c1-4-13-10(2)12-7-5-11(3,6-8-12)9-14-12/h10H,4-9H2,1-3H3
InChIKeyJBVLURAMXWYFJX-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane?
The IUPAC name of 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane (CID 89178455) is 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane.
What is the SMILES notation for 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane?
The canonical SMILES for 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane is CCOC(C)C12CCC(C)(CC1)CO2.
What is the InChIKey of 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane?
The InChIKey is JBVLURAMXWYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-13-10(2)12-7-5-11(3,6-8-12)9-14-12/h10H,4-9H2,1-3H3.
What are the key properties of 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane?
1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane has a molecular weight of 198.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane is sourced from PubChem (CID 89178455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).