2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C8H8O2 — CID 18943225

IUPAC2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOc1cc2ccc1o2
InChIInChI=1S/C8H8O2/c1-2-9-8-5-6-3-4-7(8)10-6/h3-5H,2H2,1H3
InChIKeyRPLCWNBMQZQYCF-UHFFFAOYSA-N
MW136.15 g/mol
LogP2.27
Rot. Bonds2

About 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 18943225) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID18943225
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOc1cc2ccc1o2
InChIInChI=1S/C8H8O2/c1-2-9-8-5-6-3-4-7(8)10-6/h3-5H,2H2,1H3
InChIKeyRPLCWNBMQZQYCF-UHFFFAOYSA-N
XLogP2.27
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 52.27
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]hepta-1,3,5-triene?
The IUPAC name of 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 18943225) is 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CCOc1cc2ccc1o2.
What is the InChIKey of 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is RPLCWNBMQZQYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-9-8-5-6-3-4-7(8)10-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 136.15 g/mol, XLogP of 2.27, 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]hepta-1,3,5-triene is sourced from PubChem (CID 18943225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).