2-ethoxybicyclo[2.2.2]octane

C10H18O — CID 13239318

IUPAC2-ethoxybicyclo[2.2.2]octane
SMILESCCOC1CC2CCC1CC2
InChIInChI=1S/C10H18O/c1-2-11-10-7-8-3-5-9(10)6-4-8/h8-10H,2-7H2,1H3
InChIKeyQTBDZZGGYZFCOV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds2

About 2-ethoxybicyclo[2.2.2]octane

2-ethoxybicyclo[2.2.2]octane (PubChem CID 13239318) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethoxybicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-ethoxybicyclo[2.2.2]octane
PubChem CID13239318
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethoxybicyclo[2.2.2]octane
SMILESCCOC1CC2CCC1CC2
InChIInChI=1S/C10H18O/c1-2-11-10-7-8-3-5-9(10)6-4-8/h8-10H,2-7H2,1H3
InChIKeyQTBDZZGGYZFCOV-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybicyclo[2.2.2]octane?
The IUPAC name of 2-ethoxybicyclo[2.2.2]octane (CID 13239318) is 2-ethoxybicyclo[2.2.2]octane.
What is the SMILES notation for 2-ethoxybicyclo[2.2.2]octane?
The canonical SMILES for 2-ethoxybicyclo[2.2.2]octane is CCOC1CC2CCC1CC2.
What is the InChIKey of 2-ethoxybicyclo[2.2.2]octane?
The InChIKey is QTBDZZGGYZFCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-11-10-7-8-3-5-9(10)6-4-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-ethoxybicyclo[2.2.2]octane?
2-ethoxybicyclo[2.2.2]octane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybicyclo[2.2.2]octane is sourced from PubChem (CID 13239318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).