3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane

C16H30O4 — CID 20751976

IUPAC3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane
SMILESCCC1(COCCCCOCC2(CC)COC2)COC1
InChIInChI=1S/C16H30O4/c1-3-15(11-19-12-15)9-17-7-5-6-8-18-10-16(4-2)13-20-14-16/h3-14H2,1-2H3
InChIKeyUWFHYGTWXNRUDH-UHFFFAOYSA-N
MW286.41 g/mol
LogP2.65
Rot. Bonds11

About 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane

3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane (PubChem CID 20751976) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane
PubChem CID20751976
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane
SMILESCCC1(COCCCCOCC2(CC)COC2)COC1
InChIInChI=1S/C16H30O4/c1-3-15(11-19-12-15)9-17-7-5-6-8-18-10-16(4-2)13-20-14-16/h3-14H2,1-2H3
InChIKeyUWFHYGTWXNRUDH-UHFFFAOYSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane (CID 20751976) is 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane is CCC1(COCCCCOCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
The InChIKey is UWFHYGTWXNRUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-3-15(11-19-12-15)9-17-7-5-6-8-18-10-16(4-2)13-20-14-16/h3-14H2,1-2H3.
What are the key properties of 3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane has a molecular weight of 286.41 g/mol, XLogP of 2.65, 11 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)methoxy]butoxymethyl]oxetane is sourced from PubChem (CID 20751976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).