3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane

C20H30O4 — CID 22571166

IUPAC3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane
SMILESCCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1
InChIInChI=1S/C20H30O4/c1-3-19(13-23-14-19)11-21-9-17-5-7-18(8-6-17)10-22-12-20(4-2)15-24-16-20/h5-8H,3-4,9-16H2,1-2H3
InChIKeyLMIOYAVXLAOXJI-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.57
Rot. Bonds10

About 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane

3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane (PubChem CID 22571166) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane
PubChem CID22571166
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane
SMILESCCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1
InChIInChI=1S/C20H30O4/c1-3-19(13-23-14-19)11-21-9-17-5-7-18(8-6-17)10-22-12-20(4-2)15-24-16-20/h5-8H,3-4,9-16H2,1-2H3
InChIKeyLMIOYAVXLAOXJI-UHFFFAOYSA-N
XLogP3.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane (CID 22571166) is 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane is CCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1.
What is the InChIKey of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane?
The InChIKey is LMIOYAVXLAOXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-3-19(13-23-14-19)11-21-9-17-5-7-18(8-6-17)10-22-12-20(4-2)15-24-16-20/h5-8H,3-4,9-16H2,1-2H3.
What are the key properties of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane?
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane has a molecular weight of 334.46 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane is sourced from PubChem (CID 22571166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).