3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane

C22H42O5 — CID 57186025

IUPAC3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane
SMILESCCC1(C(COCC(C)C)OC(COCC(C)C)C2(CC)COC2)COC1
InChIInChI=1S/C22H42O5/c1-7-21(13-25-14-21)19(11-23-9-17(3)4)27-20(12-24-10-18(5)6)22(8-2)15-26-16-22/h17-20H,7-16H2,1-6H3
InChIKeyGEALKVRMIFSPSF-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.94
Rot. Bonds14

About 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane

3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane (PubChem CID 57186025) has the molecular formula C22H42O5 and a molecular weight of 386.57 g/mol. Its IUPAC name is 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane
PubChem CID57186025
Molecular FormulaC22H42O5
Molecular Weight386.57 g/mol
Exact Mass386.30
IUPAC Name3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane
SMILESCCC1(C(COCC(C)C)OC(COCC(C)C)C2(CC)COC2)COC1
InChIInChI=1S/C22H42O5/c1-7-21(13-25-14-21)19(11-23-9-17(3)4)27-20(12-24-10-18(5)6)22(8-2)15-26-16-22/h17-20H,7-16H2,1-6H3
InChIKeyGEALKVRMIFSPSF-UHFFFAOYSA-N
XLogP3.94
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane?
The IUPAC name of 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane (CID 57186025) is 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane is CCC1(C(COCC(C)C)OC(COCC(C)C)C2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane?
The InChIKey is GEALKVRMIFSPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O5/c1-7-21(13-25-14-21)19(11-23-9-17(3)4)27-20(12-24-10-18(5)6)22(8-2)15-26-16-22/h17-20H,7-16H2,1-6H3.
What are the key properties of 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane?
3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane has a molecular weight of 386.57 g/mol, XLogP of 3.94, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-[1-(3-ethyloxetan-3-yl)-2-(2-methylpropoxy)ethoxy]-2-(2-methylpropoxy)ethyl]oxetane is sourced from PubChem (CID 57186025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).