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

C20H38O6 — CID 59609295

IUPAC3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
SMILESCCC1(CCOCCOCCOCCOCCC2(CC)COC2)COC1
InChIInChI=1S/C20H38O6/c1-3-19(15-25-16-19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-20(4-2)17-26-18-20/h3-18H2,1-2H3
InChIKeyLXDSLAHMLOVRJB-UHFFFAOYSA-N
MW374.52 g/mol
LogP2.69
Rot. Bonds17

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

3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane (PubChem CID 59609295) has the molecular formula C20H38O6 and a molecular weight of 374.52 g/mol. Its IUPAC name is 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
PubChem CID59609295
Molecular FormulaC20H38O6
Molecular Weight374.52 g/mol
Exact Mass374.27
IUPAC Name3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
SMILESCCC1(CCOCCOCCOCCOCCC2(CC)COC2)COC1
InChIInChI=1S/C20H38O6/c1-3-19(15-25-16-19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-20(4-2)17-26-18-20/h3-18H2,1-2H3
InChIKeyLXDSLAHMLOVRJB-UHFFFAOYSA-N
XLogP2.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
The IUPAC name of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane (CID 59609295) is 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane is CCC1(CCOCCOCCOCCOCCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
The InChIKey is LXDSLAHMLOVRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-3-19(15-25-16-19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-20(4-2)17-26-18-20/h3-18H2,1-2H3.
What are the key properties of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane has a molecular weight of 374.52 g/mol, XLogP of 2.69, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane is sourced from PubChem (CID 59609295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).