2-ethoxy-7-oxabicyclo[2.2.1]heptane

C8H14O2 — CID 89381856

IUPAC2-ethoxy-7-oxabicyclo[2.2.1]heptane
SMILESCCOC1CC2CCC1O2
InChIInChI=1S/C8H14O2/c1-2-9-8-5-6-3-4-7(8)10-6/h6-8H,2-5H2,1H3
InChIKeyYECZSCHYKCFXII-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds2

About 2-ethoxy-7-oxabicyclo[2.2.1]heptane

2-ethoxy-7-oxabicyclo[2.2.1]heptane (PubChem CID 89381856) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-ethoxy-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethoxy-7-oxabicyclo[2.2.1]heptane
PubChem CID89381856
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-ethoxy-7-oxabicyclo[2.2.1]heptane
SMILESCCOC1CC2CCC1O2
InChIInChI=1S/C8H14O2/c1-2-9-8-5-6-3-4-7(8)10-6/h6-8H,2-5H2,1H3
InChIKeyYECZSCHYKCFXII-UHFFFAOYSA-N
XLogP1.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-ethoxy-7-oxabicyclo[2.2.1]heptane (CID 89381856) is 2-ethoxy-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethoxy-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethoxy-7-oxabicyclo[2.2.1]heptane is CCOC1CC2CCC1O2.
What is the InChIKey of 2-ethoxy-7-oxabicyclo[2.2.1]heptane?
The InChIKey is YECZSCHYKCFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-9-8-5-6-3-4-7(8)10-6/h6-8H,2-5H2,1H3.
What are the key properties of 2-ethoxy-7-oxabicyclo[2.2.1]heptane?
2-ethoxy-7-oxabicyclo[2.2.1]heptane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 89381856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).