3-(6-ethenoxyhexoxy)-3-ethyloxetane

C13H24O3 — CID 58689609

IUPAC3-(6-ethenoxyhexoxy)-3-ethyloxetane
SMILESC=COCCCCCCOC1(CC)COC1
InChIInChI=1S/C13H24O3/c1-3-13(11-15-12-13)16-10-8-6-5-7-9-14-4-2/h4H,2-3,5-12H2,1H3
InChIKeyWKYKZQCQKOCYKF-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds10

About 3-(6-ethenoxyhexoxy)-3-ethyloxetane

3-(6-ethenoxyhexoxy)-3-ethyloxetane (PubChem CID 58689609) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 3-(6-ethenoxyhexoxy)-3-ethyloxetane.

Molecular Properties

Compound Name3-(6-ethenoxyhexoxy)-3-ethyloxetane
PubChem CID58689609
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name3-(6-ethenoxyhexoxy)-3-ethyloxetane
SMILESC=COCCCCCCOC1(CC)COC1
InChIInChI=1S/C13H24O3/c1-3-13(11-15-12-13)16-10-8-6-5-7-9-14-4-2/h4H,2-3,5-12H2,1H3
InChIKeyWKYKZQCQKOCYKF-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-3-(6-methoxyhexoxy)oxetane
CID 59790902
2-(Ethenoxymethyl)-2-ethyloxetane
CID 89158012
2-(Ethenoxymethyl)-2-propyloxetane
CID 140206383
2-(3-Ethenoxypropyl)-2-ethyloxetane
CID 140206387
3-Butyl-3-ethoxyoxetane
CID 149820327
1-(Ethenoxymethyl)-1-ethoxycyclobutane
CID 150690368
3-Ethyl-3-hexoxyoxetane
CID 153829629
2-(Ethenoxymethyl)-2-methyloxane
CID 176603187

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethenoxyhexoxy)-3-ethyloxetane?
The IUPAC name of 3-(6-ethenoxyhexoxy)-3-ethyloxetane (CID 58689609) is 3-(6-ethenoxyhexoxy)-3-ethyloxetane.
What is the SMILES notation for 3-(6-ethenoxyhexoxy)-3-ethyloxetane?
The canonical SMILES for 3-(6-ethenoxyhexoxy)-3-ethyloxetane is C=COCCCCCCOC1(CC)COC1.
What is the InChIKey of 3-(6-ethenoxyhexoxy)-3-ethyloxetane?
The InChIKey is WKYKZQCQKOCYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-13(11-15-12-13)16-10-8-6-5-7-9-14-4-2/h4H,2-3,5-12H2,1H3.
What are the key properties of 3-(6-ethenoxyhexoxy)-3-ethyloxetane?
3-(6-ethenoxyhexoxy)-3-ethyloxetane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethenoxyhexoxy)-3-ethyloxetane is sourced from PubChem (CID 58689609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).