3-(cyclohexyloxymethyl)-2-ethyloxetane

C12H22O2 — CID 141286516

IUPAC3-(cyclohexyloxymethyl)-2-ethyloxetane
SMILESCCC1OCC1COC1CCCCC1
InChIInChI=1S/C12H22O2/c1-2-12-10(9-14-12)8-13-11-6-4-3-5-7-11/h10-12H,2-9H2,1H3
InChIKeyQNGIUJFKFLJSJY-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.76
Rot. Bonds4

About 3-(cyclohexyloxymethyl)-2-ethyloxetane

3-(cyclohexyloxymethyl)-2-ethyloxetane (PubChem CID 141286516) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(cyclohexyloxymethyl)-2-ethyloxetane.

Molecular Properties

Compound Name3-(cyclohexyloxymethyl)-2-ethyloxetane
PubChem CID141286516
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(cyclohexyloxymethyl)-2-ethyloxetane
SMILESCCC1OCC1COC1CCCCC1
InChIInChI=1S/C12H22O2/c1-2-12-10(9-14-12)8-13-11-6-4-3-5-7-11/h10-12H,2-9H2,1H3
InChIKeyQNGIUJFKFLJSJY-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbutoxycyclohexane
CID 20746725
Oxetane, 3-[(cyclohexyloxy)methyl]-3-ethyl-
CID 11310133
3-Methylbutoxycyclohexane
CID 53727202
3-Ethyl-4-hexoxyoxane
CID 53875619
3-Methylbutan-2-yloxycyclohexane
CID 57319094
[(2R)-3-methylbutan-2-yl]oxycyclohexane
CID 57954215
2-(3-Ethoxybutoxy)-5-methylhexane
CID 59518709
3-(3-Ethylhexoxymethyl)oxetane
CID 67047519
3-(Cyclohexyloxymethyl)oxetane
CID 67973295
3-(Cyclohexyloxymethyl)-3-methyloxetane
CID 67973507
2-Methylhexan-3-yloxycyclohexane
CID 68243643
(2R,4S,5R)-4-methoxy-2,5-dimethyloxane
CID 68253540

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexyloxymethyl)-2-ethyloxetane?
The IUPAC name of 3-(cyclohexyloxymethyl)-2-ethyloxetane (CID 141286516) is 3-(cyclohexyloxymethyl)-2-ethyloxetane.
What is the SMILES notation for 3-(cyclohexyloxymethyl)-2-ethyloxetane?
The canonical SMILES for 3-(cyclohexyloxymethyl)-2-ethyloxetane is CCC1OCC1COC1CCCCC1.
What is the InChIKey of 3-(cyclohexyloxymethyl)-2-ethyloxetane?
The InChIKey is QNGIUJFKFLJSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-12-10(9-14-12)8-13-11-6-4-3-5-7-11/h10-12H,2-9H2,1H3.
What are the key properties of 3-(cyclohexyloxymethyl)-2-ethyloxetane?
3-(cyclohexyloxymethyl)-2-ethyloxetane has a molecular weight of 198.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexyloxymethyl)-2-ethyloxetane is sourced from PubChem (CID 141286516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).