2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane

C14H22O2 — CID 91253234

IUPAC2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane
SMILESCCC1COC1COCC12C=CC(CC1)C2
InChIInChI=1S/C14H22O2/c1-2-12-8-16-13(12)9-15-10-14-5-3-11(7-14)4-6-14/h3,5,11-13H,2,4,6-10H2,1H3
InChIKeyJHWORACGKJDRTH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.78
Rot. Bonds5

About 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane

2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane (PubChem CID 91253234) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane
PubChem CID91253234
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane
SMILESCCC1COC1COCC12C=CC(CC1)C2
InChIInChI=1S/C14H22O2/c1-2-12-8-16-13(12)9-15-10-14-5-3-11(7-14)4-6-14/h3,5,11-13H,2,4,6-10H2,1H3
InChIKeyJHWORACGKJDRTH-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.78
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 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane (CID 91253234) is 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane is CCC1COC1COCC12C=CC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane?
The InChIKey is JHWORACGKJDRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-12-8-16-13(12)9-15-10-14-5-3-11(7-14)4-6-14/h3,5,11-13H,2,4,6-10H2,1H3.
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane?
2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane has a molecular weight of 222.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 91253234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).