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

C15H24O2 — CID 68983346

IUPAC3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCC2CC3C=CC2C3)COC1
InChIInChI=1S/C15H24O2/c1-2-15(10-17-11-15)9-16-6-5-14-8-12-3-4-13(14)7-12/h3-4,12-14H,2,5-11H2,1H3
InChIKeyVJRUEGVILKSFQP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.03
Rot. Bonds6

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

3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane (PubChem CID 68983346) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane
PubChem CID68983346
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCC2CC3C=CC2C3)COC1
InChIInChI=1S/C15H24O2/c1-2-15(10-17-11-15)9-16-6-5-14-8-12-3-4-13(14)7-12/h3-4,12-14H,2,5-11H2,1H3
InChIKeyVJRUEGVILKSFQP-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane (CID 68983346) is 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane is CCC1(COCCC2CC3C=CC2C3)COC1.
What is the InChIKey of 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane?
The InChIKey is VJRUEGVILKSFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-15(10-17-11-15)9-16-6-5-14-8-12-3-4-13(14)7-12/h3-4,12-14H,2,5-11H2,1H3.
What are the key properties of 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane?
3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane has a molecular weight of 236.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 68983346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).