3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane

C14H24O3 — CID 70851374

IUPAC3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane
SMILESCCC1(COC2CCC3CCC(C2)O3)COC1
InChIInChI=1S/C14H24O3/c1-2-14(8-15-9-14)10-16-12-5-3-11-4-6-13(7-12)17-11/h11-13H,2-10H2,1H3
InChIKeyZGBPPAPFVLUJNL-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.53
Rot. Bonds4

About 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane

3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane (PubChem CID 70851374) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane
PubChem CID70851374
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane
SMILESCCC1(COC2CCC3CCC(C2)O3)COC1
InChIInChI=1S/C14H24O3/c1-2-14(8-15-9-14)10-16-12-5-3-11-4-6-13(7-12)17-11/h11-13H,2-10H2,1H3
InChIKeyZGBPPAPFVLUJNL-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methoxy]-3,5-dimethylcyclohexyl]-2,6-dimethylcyclohexyl]oxymethyl]oxetane
CID 145474774
3-ethyl-3-(ethylperoxymethyl)oxetane
CID 151175316
3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane
CID 150843093
CID 154594581
CID 154594581
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-[[1,4-bis[(3-ethyloxetan-3-yl)methoxy]-8-tricyclo[5.2.1.02,6]decanyl]oxymethyl]-3-ethyloxetane
CID 23113171
3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
CID 58963674
CID 20529895
CID 20529895
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854
3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane
CID 71063418
3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane
CID 144986701

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane?
The IUPAC name of 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane (CID 70851374) is 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane?
The canonical SMILES for 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane is CCC1(COC2CCC3CCC(C2)O3)COC1.
What is the InChIKey of 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane?
The InChIKey is ZGBPPAPFVLUJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-14(8-15-9-14)10-16-12-5-3-11-4-6-13(7-12)17-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane?
3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane has a molecular weight of 240.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyloxetan-3-yl)methoxy]-9-oxabicyclo[4.2.1]nonane is sourced from PubChem (CID 70851374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).