3-ethyl-3-(6-methoxyhexoxy)oxetane

C12H24O3 — CID 59790902

IUPAC3-ethyl-3-(6-methoxyhexoxy)oxetane
SMILESCCC1(OCCCCCCOC)COC1
InChIInChI=1S/C12H24O3/c1-3-12(10-14-11-12)15-9-7-5-4-6-8-13-2/h3-11H2,1-2H3
InChIKeyFLSBNUHYLCWKFA-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.39
Rot. Bonds9

About 3-ethyl-3-(6-methoxyhexoxy)oxetane

3-ethyl-3-(6-methoxyhexoxy)oxetane (PubChem CID 59790902) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-ethyl-3-(6-methoxyhexoxy)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(6-methoxyhexoxy)oxetane
PubChem CID59790902
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-ethyl-3-(6-methoxyhexoxy)oxetane
SMILESCCC1(OCCCCCCOC)COC1
InChIInChI=1S/C12H24O3/c1-3-12(10-14-11-12)15-9-7-5-4-6-8-13-2/h3-11H2,1-2H3
InChIKeyFLSBNUHYLCWKFA-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyhexoxy)oxetane?
The IUPAC name of 3-ethyl-3-(6-methoxyhexoxy)oxetane (CID 59790902) is 3-ethyl-3-(6-methoxyhexoxy)oxetane.
What is the SMILES notation for 3-ethyl-3-(6-methoxyhexoxy)oxetane?
The canonical SMILES for 3-ethyl-3-(6-methoxyhexoxy)oxetane is CCC1(OCCCCCCOC)COC1.
What is the InChIKey of 3-ethyl-3-(6-methoxyhexoxy)oxetane?
The InChIKey is FLSBNUHYLCWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-12(10-14-11-12)15-9-7-5-4-6-8-13-2/h3-11H2,1-2H3.
What are the key properties of 3-ethyl-3-(6-methoxyhexoxy)oxetane?
3-ethyl-3-(6-methoxyhexoxy)oxetane has a molecular weight of 216.32 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(6-methoxyhexoxy)oxetane is sourced from PubChem (CID 59790902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).