3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane

C18H34O4 — CID 20823171

IUPAC3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane
SMILESCCC1(COCCCCCCOCC2(CC)COC2)COC1
InChIInChI=1S/C18H34O4/c1-3-17(13-21-14-17)11-19-9-7-5-6-8-10-20-12-18(4-2)15-22-16-18/h3-16H2,1-2H3
InChIKeyGBDPVIKGIRHANI-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.43
Rot. Bonds13

About 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane

3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane (PubChem CID 20823171) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane
PubChem CID20823171
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane
SMILESCCC1(COCCCCCCOCC2(CC)COC2)COC1
InChIInChI=1S/C18H34O4/c1-3-17(13-21-14-17)11-19-9-7-5-6-8-10-20-12-18(4-2)15-22-16-18/h3-16H2,1-2H3
InChIKeyGBDPVIKGIRHANI-UHFFFAOYSA-N
XLogP3.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane (CID 20823171) is 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane is CCC1(COCCCCCCOCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane?
The InChIKey is GBDPVIKGIRHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-3-17(13-21-14-17)11-19-9-7-5-6-8-10-20-12-18(4-2)15-22-16-18/h3-16H2,1-2H3.
What are the key properties of 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane?
3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane has a molecular weight of 314.47 g/mol, XLogP of 3.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane is sourced from PubChem (CID 20823171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).