3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane

C13H20O2 — CID 23120595

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane
SMILESCCC1(COC2CC3C=CC2C3)COC1
InChIInChI=1S/C13H20O2/c1-2-13(7-14-8-13)9-15-12-6-10-3-4-11(12)5-10/h3-4,10-12H,2,5-9H2,1H3
InChIKeyWPNNTDKIBHJWAU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.39
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane

3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane (PubChem CID 23120595) 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-5-enyloxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane
PubChem CID23120595
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane
SMILESCCC1(COC2CC3C=CC2C3)COC1
InChIInChI=1S/C13H20O2/c1-2-13(7-14-8-13)9-15-12-6-10-3-4-11(12)5-10/h3-4,10-12H,2,5-9H2,1H3
InChIKeyWPNNTDKIBHJWAU-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane (CID 23120595) is 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane is CCC1(COC2CC3C=CC2C3)COC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane?
The InChIKey is WPNNTDKIBHJWAU-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/h3-4,10-12H,2,5-9H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane?
3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-ethyloxetane has a molecular weight of 208.30 g/mol, XLogP of 2.39, 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-5-enyloxymethyl)-3-ethyloxetane is sourced from PubChem (CID 23120595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).