3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane

C14H26O3 — CID 23579732

IUPAC3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane
SMILESCCC1(CCCC2(CC)COC2OC)COC1
InChIInChI=1S/C14H26O3/c1-4-13(9-16-10-13)7-6-8-14(5-2)11-17-12(14)15-3/h12H,4-11H2,1-3H3
InChIKeyXTIRMQBOTYVFKA-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.98
Rot. Bonds7

About 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane

3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane (PubChem CID 23579732) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane.

Molecular Properties

Compound Name3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane
PubChem CID23579732
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane
SMILESCCC1(CCCC2(CC)COC2OC)COC1
InChIInChI=1S/C14H26O3/c1-4-13(9-16-10-13)7-6-8-14(5-2)11-17-12(14)15-3/h12H,4-11H2,1-3H3
InChIKeyXTIRMQBOTYVFKA-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane?
The IUPAC name of 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane (CID 23579732) is 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane.
What is the SMILES notation for 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane?
The canonical SMILES for 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane is CCC1(CCCC2(CC)COC2OC)COC1.
What is the InChIKey of 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane?
The InChIKey is XTIRMQBOTYVFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-4-13(9-16-10-13)7-6-8-14(5-2)11-17-12(14)15-3/h12H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane?
3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane has a molecular weight of 242.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-(3-ethyloxetan-3-yl)propyl]-2-methoxyoxetane is sourced from PubChem (CID 23579732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).