3-ethyl-3-(octadecoxymethyl)oxetane

C24H48O2 — CID 22496628

IUPAC3-ethyl-3-(octadecoxymethyl)oxetane
SMILESCCCCCCCCCCCCCCCCCCOCC1(CC)COC1
InChIInChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-24(4-2)22-26-23-24/h3-23H2,1-2H3
InChIKeyCXGVNLOQKSDKPU-UHFFFAOYSA-N
MW368.65 g/mol
LogP7.69
Rot. Bonds20

About 3-ethyl-3-(octadecoxymethyl)oxetane

3-ethyl-3-(octadecoxymethyl)oxetane (PubChem CID 22496628) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 3-ethyl-3-(octadecoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(octadecoxymethyl)oxetane
PubChem CID22496628
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name3-ethyl-3-(octadecoxymethyl)oxetane
SMILESCCCCCCCCCCCCCCCCCCOCC1(CC)COC1
InChIInChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-24(4-2)22-26-23-24/h3-23H2,1-2H3
InChIKeyCXGVNLOQKSDKPU-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(octoxymethyl)oxetane
CID 58963686
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
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
3-[(3-ethyloxetan-3-yl)methoxy]propyl-hydroxy-dimethylsilane
CID 59434230
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
CID 175533213
3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
CID 58963674
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 159566916
ethyl-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethoxysilane
CID 141043104
3-[4,4-bis[(3-ethyloxetan-3-yl)methoxymethyl]hexoxymethyl]-3-ethyloxetane
CID 59940311
2-ethyl-2-(pentoxymethyl)oxirane
CID 175272584

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(octadecoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(octadecoxymethyl)oxetane (CID 22496628) is 3-ethyl-3-(octadecoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(octadecoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(octadecoxymethyl)oxetane is CCCCCCCCCCCCCCCCCCOCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(octadecoxymethyl)oxetane?
The InChIKey is CXGVNLOQKSDKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-24(4-2)22-26-23-24/h3-23H2,1-2H3.
What are the key properties of 3-ethyl-3-(octadecoxymethyl)oxetane?
3-ethyl-3-(octadecoxymethyl)oxetane has a molecular weight of 368.65 g/mol, XLogP of 7.69, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(octadecoxymethyl)oxetane is sourced from PubChem (CID 22496628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).