3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane

C15H28O4 — CID 21133030

IUPAC3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane
SMILESCCC1(COCC(C)OCC2(CC)COC2)COC1
InChIInChI=1S/C15H28O4/c1-4-14(8-17-9-14)7-16-6-13(3)19-12-15(5-2)10-18-11-15/h13H,4-12H2,1-3H3
InChIKeyGGBYJYLEEOREBG-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.26
Rot. Bonds9

About 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane

3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane (PubChem CID 21133030) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane
PubChem CID21133030
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane
SMILESCCC1(COCC(C)OCC2(CC)COC2)COC1
InChIInChI=1S/C15H28O4/c1-4-14(8-17-9-14)7-16-6-13(3)19-12-15(5-2)10-18-11-15/h13H,4-12H2,1-3H3
InChIKeyGGBYJYLEEOREBG-UHFFFAOYSA-N
XLogP2.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane (CID 21133030) is 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane is CCC1(COCC(C)OCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane?
The InChIKey is GGBYJYLEEOREBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-14(8-17-9-14)7-16-6-13(3)19-12-15(5-2)10-18-11-15/h13H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane?
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane has a molecular weight of 272.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]oxetane is sourced from PubChem (CID 21133030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).