3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane

C17H32O5 — CID 70911464

IUPAC3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane
SMILESCCC1(COCCOCC(C)OCC2(CC)COC2)COC1
InChIInChI=1S/C17H32O5/c1-4-16(10-20-11-16)9-19-7-6-18-8-15(3)22-14-17(5-2)12-21-13-17/h15H,4-14H2,1-3H3
InChIKeyPICOGSBMYJMMFV-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.28
Rot. Bonds12

About 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane

3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane (PubChem CID 70911464) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane
PubChem CID70911464
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane
SMILESCCC1(COCCOCC(C)OCC2(CC)COC2)COC1
InChIInChI=1S/C17H32O5/c1-4-16(10-20-11-16)9-19-7-6-18-8-15(3)22-14-17(5-2)12-21-13-17/h15H,4-14H2,1-3H3
InChIKeyPICOGSBMYJMMFV-UHFFFAOYSA-N
XLogP2.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]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-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane (CID 70911464) is 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane is CCC1(COCCOCC(C)OCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane?
The InChIKey is PICOGSBMYJMMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-4-16(10-20-11-16)9-19-7-6-18-8-15(3)22-14-17(5-2)12-21-13-17/h15H,4-14H2,1-3H3.
What are the key properties of 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane?
3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane has a molecular weight of 316.44 g/mol, XLogP of 2.28, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propan-2-yloxymethyl]oxetane is sourced from PubChem (CID 70911464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).