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

C20H38O7 — CID 57319993

IUPAC3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane
SMILESCCC1(COCCOCCOCCOCCOCC2(CC)COC2)COC1
InChIInChI=1S/C20H38O7/c1-3-19(15-26-16-19)13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-20(4-2)17-27-18-20/h3-18H2,1-2H3
InChIKeyWUGFSEWXAWXRTM-UHFFFAOYSA-N
MW390.52 g/mol
LogP1.92
Rot. Bonds18

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

3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane (PubChem CID 57319993) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane
PubChem CID57319993
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane
SMILESCCC1(COCCOCCOCCOCCOCC2(CC)COC2)COC1
InChIInChI=1S/C20H38O7/c1-3-19(15-26-16-19)13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-20(4-2)17-27-18-20/h3-18H2,1-2H3
InChIKeyWUGFSEWXAWXRTM-UHFFFAOYSA-N
XLogP1.92
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane (CID 57319993) is 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane is CCC1(COCCOCCOCCOCCOCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane?
The InChIKey is WUGFSEWXAWXRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7/c1-3-19(15-26-16-19)13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-20(4-2)17-27-18-20/h3-18H2,1-2H3.
What are the key properties of 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane?
3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane has a molecular weight of 390.52 g/mol, XLogP of 1.92, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[2-[2-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxetane is sourced from PubChem (CID 57319993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).