3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane

C13H24O4 — CID 123416933

IUPAC3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane
SMILESCCC1(CC2(CC)COC2OC)COC1OC
InChIInChI=1S/C13H24O4/c1-5-12(8-16-10(12)14-3)7-13(6-2)9-17-11(13)15-4/h10-11H,5-9H2,1-4H3
InChIKeyRMMBTCNDOKDOLG-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.17
Rot. Bonds6

About 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane

3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane (PubChem CID 123416933) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane.

Molecular Properties

Compound Name3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane
PubChem CID123416933
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane
SMILESCCC1(CC2(CC)COC2OC)COC1OC
InChIInChI=1S/C13H24O4/c1-5-12(8-16-10(12)14-3)7-13(6-2)9-17-11(13)15-4/h10-11H,5-9H2,1-4H3
InChIKeyRMMBTCNDOKDOLG-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane?
The IUPAC name of 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane (CID 123416933) is 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane.
What is the SMILES notation for 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane?
The canonical SMILES for 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane is CCC1(CC2(CC)COC2OC)COC1OC.
What is the InChIKey of 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane?
The InChIKey is RMMBTCNDOKDOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-12(8-16-10(12)14-3)7-13(6-2)9-17-11(13)15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane?
3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane has a molecular weight of 244.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane is sourced from PubChem (CID 123416933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).