3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane

C13H22O2 — CID 23118639

IUPAC3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane
SMILESCCC1(COCC2CC=CCC2)COC1
InChIInChI=1S/C13H22O2/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3
InChIKeyCOCFRLSMOLPMFS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.79
Rot. Bonds5

About 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane

3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane (PubChem CID 23118639) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane
PubChem CID23118639
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane
SMILESCCC1(COCC2CC=CCC2)COC1
InChIInChI=1S/C13H22O2/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3
InChIKeyCOCFRLSMOLPMFS-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane (CID 23118639) is 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane is CCC1(COCC2CC=CCC2)COC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane?
The InChIKey is COCFRLSMOLPMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3.
What are the key properties of 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane?
3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane has a molecular weight of 210.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 23118639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).