3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane

C13H25ClO2 — CID 139998932

IUPAC3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane
SMILESCCCCC(CC)COCC1(CCl)COC1
InChIInChI=1S/C13H25ClO2/c1-3-5-6-12(4-2)7-15-9-13(8-14)10-16-11-13/h12H,3-11H2,1-2H3
InChIKeyNYGNMIXHSIODLX-UHFFFAOYSA-N
MW248.79 g/mol
LogP3.47
Rot. Bonds9

About 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane

3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane (PubChem CID 139998932) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane
PubChem CID139998932
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane
SMILESCCCCC(CC)COCC1(CCl)COC1
InChIInChI=1S/C13H25ClO2/c1-3-5-6-12(4-2)7-15-9-13(8-14)10-16-11-13/h12H,3-11H2,1-2H3
InChIKeyNYGNMIXHSIODLX-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.79
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 65007085
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(chloromethyl)-3-(2-ethylhexyl)oxane
CID 66033685
3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane
CID 71063418
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
2-(2-ethylhexoxymethyl)-2,3,3,4,4-pentamethyloxetane
CID 58640621
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
2-ethylhexoxymethanol
CID 18783221
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane?
The IUPAC name of 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane (CID 139998932) is 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane.
What is the SMILES notation for 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane?
The canonical SMILES for 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane is CCCCC(CC)COCC1(CCl)COC1.
What is the InChIKey of 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane?
The InChIKey is NYGNMIXHSIODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-3-5-6-12(4-2)7-15-9-13(8-14)10-16-11-13/h12H,3-11H2,1-2H3.
What are the key properties of 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane?
3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane has a molecular weight of 248.79 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2-ethylhexoxymethyl)oxetane is sourced from PubChem (CID 139998932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).