3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane

C14H26O3 — CID 139948129

IUPAC3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane
SMILESCCC1COC1CCOCCC1OCC1CC
InChIInChI=1S/C14H26O3/c1-3-11-9-16-13(11)5-7-15-8-6-14-12(4-2)10-17-14/h11-14H,3-10H2,1-2H3
InChIKeyLIRNLCFAZGUCPA-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.63
Rot. Bonds8

About 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane

3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane (PubChem CID 139948129) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane
PubChem CID139948129
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane
SMILESCCC1COC1CCOCCC1OCC1CC
InChIInChI=1S/C14H26O3/c1-3-11-9-16-13(11)5-7-15-8-6-14-12(4-2)10-17-14/h11-14H,3-10H2,1-2H3
InChIKeyLIRNLCFAZGUCPA-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-[4-[(3-ethyloxetan-2-yl)methoxy]butoxymethyl]oxetane
CID 18705345
2-ethyl-3-(hexoxymethyl)oxetane
CID 141321228
(3-ethyloxetan-2-yl)methyl butanoate
CID 141089852
2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane
CID 56989250
triethoxy-[1-[(3-ethyloxetan-2-yl)methoxy]propyl]silane
CID 66790517
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
azane;3-ethyl-2-methyloxetane;dihydrate
CID 143363740
(2S,4R,5R)-5-ethyl-2-[(Z)-prop-1-enyl]-4-propyl-1,3-dioxane
CID 94908993
(2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane
CID 98570869
2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane
CID 91253234
(2S,3R)-2-(butoxymethyl)oxetan-3-amine
CID 90365743
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane?
The IUPAC name of 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane (CID 139948129) is 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane.
What is the SMILES notation for 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane?
The canonical SMILES for 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane is CCC1COC1CCOCCC1OCC1CC.
What is the InChIKey of 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane?
The InChIKey is LIRNLCFAZGUCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-11-9-16-13(11)5-7-15-8-6-14-12(4-2)10-17-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane?
3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane has a molecular weight of 242.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-[2-(3-ethyloxetan-2-yl)ethoxy]ethyl]oxetane is sourced from PubChem (CID 139948129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).