3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane

C13H26O3 — CID 71063418

IUPAC3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane
SMILESCCOCC(CC)COCC1(CC)COC1
InChIInChI=1S/C13H26O3/c1-4-12(7-14-6-3)8-15-9-13(5-2)10-16-11-13/h12H,4-11H2,1-3H3
InChIKeyLILMGFGMKFBEGM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.49
Rot. Bonds9

About 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane

3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane (PubChem CID 71063418) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane
PubChem CID71063418
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane
SMILESCCOCC(CC)COCC1(CC)COC1
InChIInChI=1S/C13H26O3/c1-4-12(7-14-6-3)8-15-9-13(5-2)10-16-11-13/h12H,4-11H2,1-3H3
InChIKeyLILMGFGMKFBEGM-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane (CID 71063418) is 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane is CCOCC(CC)COCC1(CC)COC1.
What is the InChIKey of 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane?
The InChIKey is LILMGFGMKFBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-12(7-14-6-3)8-15-9-13(5-2)10-16-11-13/h12H,4-11H2,1-3H3.
What are the key properties of 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane?
3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane has a molecular weight of 230.35 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 71063418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).