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

C16H30O5 — CID 58879055

IUPAC3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane
SMILESCCC1(COCCOCCOCC2(CC)COC2)COC1
InChIInChI=1S/C16H30O5/c1-3-15(11-20-12-15)9-18-7-5-17-6-8-19-10-16(4-2)13-21-14-16/h3-14H2,1-2H3
InChIKeyWDYLJSLAWJKROZ-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.89
Rot. Bonds12

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

3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane (PubChem CID 58879055) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane
PubChem CID58879055
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane
SMILESCCC1(COCCOCCOCC2(CC)COC2)COC1
InChIInChI=1S/C16H30O5/c1-3-15(11-20-12-15)9-18-7-5-17-6-8-19-10-16(4-2)13-21-14-16/h3-14H2,1-2H3
InChIKeyWDYLJSLAWJKROZ-UHFFFAOYSA-N
XLogP1.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane (CID 58879055) is 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane is CCC1(COCCOCCOCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane?
The InChIKey is WDYLJSLAWJKROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-3-15(11-20-12-15)9-18-7-5-17-6-8-19-10-16(4-2)13-21-14-16/h3-14H2,1-2H3.
What are the key properties of 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane?
3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane has a molecular weight of 302.41 g/mol, XLogP of 1.89, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxymethyl]oxetane is sourced from PubChem (CID 58879055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).