3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane

C14H24O3 — CID 25158285

IUPAC3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane
SMILESC=COC1CCC(OCC2(CC)COC2)CC1
InChIInChI=1S/C14H24O3/c1-3-14(9-15-10-14)11-17-13-7-5-12(6-8-13)16-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyCFMIGCNXWJZTQW-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.90
Rot. Bonds6

About 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane

3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane (PubChem CID 25158285) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane
PubChem CID25158285
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane
SMILESC=COC1CCC(OCC2(CC)COC2)CC1
InChIInChI=1S/C14H24O3/c1-3-14(9-15-10-14)11-17-13-7-5-12(6-8-13)16-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyCFMIGCNXWJZTQW-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane (CID 25158285) is 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane is C=COC1CCC(OCC2(CC)COC2)CC1.
What is the InChIKey of 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane?
The InChIKey is CFMIGCNXWJZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-14(9-15-10-14)11-17-13-7-5-12(6-8-13)16-4-2/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane?
3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane has a molecular weight of 240.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenoxycyclohexyl)oxymethyl]-3-ethyloxetane is sourced from PubChem (CID 25158285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).