3,3-bis(octoxymethyl)oxetane

C21H42O3 — CID 58963686

IUPAC3,3-bis(octoxymethyl)oxetane
SMILESCCCCCCCCOCC1(COCCCCCCCC)COC1
InChIInChI=1S/C21H42O3/c1-3-5-7-9-11-13-15-22-17-21(19-24-20-21)18-23-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyZUEIPDNEJDJCCB-UHFFFAOYSA-N
MW342.56 g/mol
LogP5.76
Rot. Bonds18

About 3,3-bis(octoxymethyl)oxetane

3,3-bis(octoxymethyl)oxetane (PubChem CID 58963686) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is 3,3-bis(octoxymethyl)oxetane.

Molecular Properties

Compound Name3,3-bis(octoxymethyl)oxetane
PubChem CID58963686
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Name3,3-bis(octoxymethyl)oxetane
SMILESCCCCCCCCOCC1(COCCCCCCCC)COC1
InChIInChI=1S/C21H42O3/c1-3-5-7-9-11-13-15-22-17-21(19-24-20-21)18-23-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyZUEIPDNEJDJCCB-UHFFFAOYSA-N
XLogP5.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-bis(octoxymethyl)oxetane with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
CID 65008372
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
2-ethyl-2-(pentoxymethyl)oxirane
CID 175272584
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
CID 175533213
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(octoxymethyl)oxetane?
The IUPAC name of 3,3-bis(octoxymethyl)oxetane (CID 58963686) is 3,3-bis(octoxymethyl)oxetane.
What is the SMILES notation for 3,3-bis(octoxymethyl)oxetane?
The canonical SMILES for 3,3-bis(octoxymethyl)oxetane is CCCCCCCCOCC1(COCCCCCCCC)COC1.
What is the InChIKey of 3,3-bis(octoxymethyl)oxetane?
The InChIKey is ZUEIPDNEJDJCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3/c1-3-5-7-9-11-13-15-22-17-21(19-24-20-21)18-23-16-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of 3,3-bis(octoxymethyl)oxetane?
3,3-bis(octoxymethyl)oxetane has a molecular weight of 342.56 g/mol, XLogP of 5.76, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(octoxymethyl)oxetane is sourced from PubChem (CID 58963686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).