3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane

C13H20O2 — CID 22065631

IUPAC3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane
SMILESCCC1(COC2=CC3CCC2C3)COC1
InChIInChI=1S/C13H20O2/c1-2-13(7-14-8-13)9-15-12-6-10-3-4-11(12)5-10/h6,10-11H,2-5,7-9H2,1H3
InChIKeyTUYDZFMSAXJXCR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane

3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane (PubChem CID 22065631) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane
PubChem CID22065631
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane
SMILESCCC1(COC2=CC3CCC2C3)COC1
InChIInChI=1S/C13H20O2/c1-2-13(7-14-8-13)9-15-12-6-10-3-4-11(12)5-10/h6,10-11H,2-5,7-9H2,1H3
InChIKeyTUYDZFMSAXJXCR-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane (CID 22065631) is 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane is CCC1(COC2=CC3CCC2C3)COC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane?
The InChIKey is TUYDZFMSAXJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-13(7-14-8-13)9-15-12-6-10-3-4-11(12)5-10/h6,10-11H,2-5,7-9H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane?
3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane has a molecular weight of 208.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-2-enyloxymethyl)-3-ethyloxetane is sourced from PubChem (CID 22065631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).