3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane

C13H22O2 — CID 176604381

IUPAC3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane
SMILESCCC1(COC=C2CCCCC2)COC1
InChIInChI=1S/C13H22O2/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12/h8H,2-7,9-11H2,1H3
InChIKeyIZKZLDMXBFDPPU-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds4

About 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane

3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane (PubChem CID 176604381) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane
PubChem CID176604381
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane
SMILESCCC1(COC=C2CCCCC2)COC1
InChIInChI=1S/C13H22O2/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12/h8H,2-7,9-11H2,1H3
InChIKeyIZKZLDMXBFDPPU-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclohexylidenemethoxymethyl)oxetane
CID 176602939
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxetane
CID 176603235
3-[1-(Cyclohexylidenemethoxy)ethyl]oxetane
CID 176603931
3-(Cyclohexylidenemethoxymethyl)-3-methyloxetane
CID 176604629
3-[2-(Cyclohexylidenemethoxy)ethyl]oxetane
CID 176605299
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxetane
CID 176605346
3-(Cyclohexylidenemethoxymethyl)-3-methyloxolane
CID 176605369

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane (CID 176604381) is 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane is CCC1(COC=C2CCCCC2)COC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane?
The InChIKey is IZKZLDMXBFDPPU-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/h8H,2-7,9-11H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane?
3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 176604381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).