3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane

C12H20Cl2O3 — CID 141337503

IUPAC3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane
SMILESCCC1(CCl)COC1OC1OCC1(CC)CCl
InChIInChI=1S/C12H20Cl2O3/c1-3-11(5-13)7-15-9(11)17-10-12(4-2,6-14)8-16-10/h9-10H,3-8H2,1-2H3
InChIKeyZSYYUYAHZASMAS-UHFFFAOYSA-N
MW283.19 g/mol
LogP2.99
Rot. Bonds6

About 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane

3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane (PubChem CID 141337503) has the molecular formula C12H20Cl2O3 and a molecular weight of 283.19 g/mol. Its IUPAC name is 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane.

Molecular Properties

Compound Name3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane
PubChem CID141337503
Molecular FormulaC12H20Cl2O3
Molecular Weight283.19 g/mol
Exact Mass282.08
IUPAC Name3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane
SMILESCCC1(CCl)COC1OC1OCC1(CC)CCl
InChIInChI=1S/C12H20Cl2O3/c1-3-11(5-13)7-15-9(11)17-10-12(4-2,6-14)8-16-10/h9-10H,3-8H2,1-2H3
InChIKeyZSYYUYAHZASMAS-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane
CID 123416933
3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane
CID 23579732
[3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol
CID 139877801
[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid
CID 139829131
(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane
CID 125425209
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
CID 104510590
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773
3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane
CID 14643515
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
CID 114535793
3-(chloromethyl)-2-methyl-3-pentan-2-yloxolane
CID 107893311
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
1-ethyl-1-(2-methoxyethyl)-2-methylcyclopropane
CID 164557776

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane?
The IUPAC name of 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane (CID 141337503) is 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane.
What is the SMILES notation for 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane?
The canonical SMILES for 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane is CCC1(CCl)COC1OC1OCC1(CC)CCl.
What is the InChIKey of 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane?
The InChIKey is ZSYYUYAHZASMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2O3/c1-3-11(5-13)7-15-9(11)17-10-12(4-2,6-14)8-16-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane?
3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane has a molecular weight of 283.19 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane is sourced from PubChem (CID 141337503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).