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

C16H28O4 — CID 25158561

IUPAC3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane
SMILESC=COC1CCC(OCCOCC2(CC)COC2)CC1
InChIInChI=1S/C16H28O4/c1-3-16(12-18-13-16)11-17-9-10-20-15-7-5-14(6-8-15)19-4-2/h4,14-15H,2-3,5-13H2,1H3
InChIKeyWJNZOBBNEDSARE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.92
Rot. Bonds9

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

3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane (PubChem CID 25158561) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane
PubChem CID25158561
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane
SMILESC=COC1CCC(OCCOCC2(CC)COC2)CC1
InChIInChI=1S/C16H28O4/c1-3-16(12-18-13-16)11-17-9-10-20-15-7-5-14(6-8-15)19-4-2/h4,14-15H,2-3,5-13H2,1H3
InChIKeyWJNZOBBNEDSARE-UHFFFAOYSA-N
XLogP2.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane (CID 25158561) is 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane is C=COC1CCC(OCCOCC2(CC)COC2)CC1.
What is the InChIKey of 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane?
The InChIKey is WJNZOBBNEDSARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-16(12-18-13-16)11-17-9-10-20-15-7-5-14(6-8-15)19-4-2/h4,14-15H,2-3,5-13H2,1H3.
What are the key properties of 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane?
3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane has a molecular weight of 284.40 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethenoxycyclohexyl)oxyethoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 25158561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).