2-methoxy-7-oxabicyclo[2.2.1]heptane

C7H12O2 — CID 13497886

IUPAC2-methoxy-7-oxabicyclo[2.2.1]heptane
SMILESCOC1CC2CCC1O2
InChIInChI=1S/C7H12O2/c1-8-7-4-5-2-3-6(7)9-5/h5-7H,2-4H2,1H3
InChIKeyWHDWCYDDNKSNJG-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.95
Rot. Bonds1

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

2-methoxy-7-oxabicyclo[2.2.1]heptane (PubChem CID 13497886) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methoxy-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methoxy-7-oxabicyclo[2.2.1]heptane
PubChem CID13497886
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methoxy-7-oxabicyclo[2.2.1]heptane
SMILESCOC1CC2CCC1O2
InChIInChI=1S/C7H12O2/c1-8-7-4-5-2-3-6(7)9-5/h5-7H,2-4H2,1H3
InChIKeyWHDWCYDDNKSNJG-UHFFFAOYSA-N
XLogP0.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-methoxy-7-oxabicyclo[2.2.1]heptane (CID 13497886) is 2-methoxy-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methoxy-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methoxy-7-oxabicyclo[2.2.1]heptane is COC1CC2CCC1O2.
What is the InChIKey of 2-methoxy-7-oxabicyclo[2.2.1]heptane?
The InChIKey is WHDWCYDDNKSNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-8-7-4-5-2-3-6(7)9-5/h5-7H,2-4H2,1H3.
What are the key properties of 2-methoxy-7-oxabicyclo[2.2.1]heptane?
2-methoxy-7-oxabicyclo[2.2.1]heptane has a molecular weight of 128.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 13497886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).