3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane

C16H28I2O5 — CID 89152081

IUPAC3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane
SMILESCCC1(COC(I)COCC(I)OCC2(CC)COC2)COC1
InChIInChI=1S/C16H28I2O5/c1-3-15(7-20-8-15)11-22-13(17)5-19-6-14(18)23-12-16(4-2)9-21-10-16/h13-14H,3-12H2,1-2H3
InChIKeyVRKHCHDKHUPTHZ-UHFFFAOYSA-N
MW554.20 g/mol
LogP3.41
Rot. Bonds12

About 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane

3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane (PubChem CID 89152081) has the molecular formula C16H28I2O5 and a molecular weight of 554.20 g/mol. Its IUPAC name is 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane
PubChem CID89152081
Molecular FormulaC16H28I2O5
Molecular Weight554.20 g/mol
Exact Mass554.00
IUPAC Name3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane
SMILESCCC1(COC(I)COCC(I)OCC2(CC)COC2)COC1
InChIInChI=1S/C16H28I2O5/c1-3-15(7-20-8-15)11-22-13(17)5-19-6-14(18)23-12-16(4-2)9-21-10-16/h13-14H,3-12H2,1-2H3
InChIKeyVRKHCHDKHUPTHZ-UHFFFAOYSA-N
XLogP3.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane with MolForge

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Related Compounds

[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
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3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane
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3-ethyl-3-(ethylperoxymethyl)oxetane
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CID 20529895
CID 20529895
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
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3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol
CID 86174948
3-ethyl-3-(prop-2-ynoxymethyl)oxetane
CID 102192429
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
CID 175533213
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane (CID 89152081) is 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane is CCC1(COC(I)COCC(I)OCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane?
The InChIKey is VRKHCHDKHUPTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28I2O5/c1-3-15(7-20-8-15)11-22-13(17)5-19-6-14(18)23-12-16(4-2)9-21-10-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane?
3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane has a molecular weight of 554.20 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-iodoethoxy]-1-iodoethoxy]methyl]oxetane is sourced from PubChem (CID 89152081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).