3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane

C15H26O3 — CID 141476490

IUPAC3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane
SMILESC=COC1CCC(OCCC2(CC)COC2)CC1
InChIInChI=1S/C15H26O3/c1-3-15(11-16-12-15)9-10-18-14-7-5-13(6-8-14)17-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyAGBZWHDNILEPEH-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.29
Rot. Bonds7

About 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane

3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane (PubChem CID 141476490) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane
PubChem CID141476490
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane
SMILESC=COC1CCC(OCCC2(CC)COC2)CC1
InChIInChI=1S/C15H26O3/c1-3-15(11-16-12-15)9-10-18-14-7-5-13(6-8-14)17-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyAGBZWHDNILEPEH-UHFFFAOYSA-N
XLogP3.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-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

Related Compounds

3-Ethyl-3-(4-vinyloxycyclohexyloxymethyl)oxetane
CID 25158285
3-[2-(4-Ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane
CID 25158561
3-[(4-Ethenoxycyclohexyl)oxymethyl]-2-ethyloxetane
CID 141283510
3-Ethyl-3-[(4-methoxycyclohexyl)oxymethyl]oxetane
CID 144101418
3-(2-Cyclohexyloxyethyl)-3-ethyloxetane
CID 144983566
3-(2-Ethenoxyethyl)-3-(ethenoxymethyl)-2-ethyloxetane
CID 153974123

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane?
The IUPAC name of 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane (CID 141476490) is 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane is C=COC1CCC(OCCC2(CC)COC2)CC1.
What is the InChIKey of 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane?
The InChIKey is AGBZWHDNILEPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-15(11-16-12-15)9-10-18-14-7-5-13(6-8-14)17-4-2/h4,13-14H,2-3,5-12H2,1H3.
What are the key properties of 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane?
3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane has a molecular weight of 254.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethenoxycyclohexyl)oxyethyl]-3-ethyloxetane is sourced from PubChem (CID 141476490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).