2-(dodecoxymethyl)-2-ethyloxetane

C18H36O2 — CID 174506334

IUPAC2-(dodecoxymethyl)-2-ethyloxetane
SMILESCCCCCCCCCCCCOCC1(CC)CCO1
InChIInChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-15-19-17-18(4-2)14-16-20-18/h3-17H2,1-2H3
InChIKeyDLLGUKBWYVZWTR-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.49
Rot. Bonds14

About 2-(dodecoxymethyl)-2-ethyloxetane

2-(dodecoxymethyl)-2-ethyloxetane (PubChem CID 174506334) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-(dodecoxymethyl)-2-ethyloxetane.

Molecular Properties

Compound Name2-(dodecoxymethyl)-2-ethyloxetane
PubChem CID174506334
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-(dodecoxymethyl)-2-ethyloxetane
SMILESCCCCCCCCCCCCOCC1(CC)CCO1
InChIInChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-15-19-17-18(4-2)14-16-20-18/h3-17H2,1-2H3
InChIKeyDLLGUKBWYVZWTR-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.49
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-Dodecoxy-3-ethyloxetane
CID 140030620
2-Ethyl-2-(octoxymethyl)oxetane
CID 174647018
(2R)-2-hexadecyl-2-methyloxetane
CID 11426468
n-Propyl-n-dodecyl-triglykolather
CID 129647951
5-Butoxy-5-(butoxymethyl)nonane
CID 17841387
2-Butyl-2-(oxetan-2-yl)oxetane
CID 18374109
1-[2-(2-Methylhexan-2-yloxy)ethoxy]decane
CID 20751264
1-[2-(2-Methylpentan-2-yloxy)ethoxy]decane
CID 21135480
1-[2-(2-Methylbutan-2-yloxy)ethoxy]dodecane
CID 21135481
3-Ethyl-2-[10-[(3-ethyloxetan-2-yl)methoxy]decoxymethyl]oxetane
CID 21966201
1-(2-Methoxy-2-methylpropoxy)hexadecane
CID 53879706
1-(Ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane
CID 54266554

Frequently Asked Questions

What is the IUPAC name of 2-(dodecoxymethyl)-2-ethyloxetane?
The IUPAC name of 2-(dodecoxymethyl)-2-ethyloxetane (CID 174506334) is 2-(dodecoxymethyl)-2-ethyloxetane.
What is the SMILES notation for 2-(dodecoxymethyl)-2-ethyloxetane?
The canonical SMILES for 2-(dodecoxymethyl)-2-ethyloxetane is CCCCCCCCCCCCOCC1(CC)CCO1.
What is the InChIKey of 2-(dodecoxymethyl)-2-ethyloxetane?
The InChIKey is DLLGUKBWYVZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-15-19-17-18(4-2)14-16-20-18/h3-17H2,1-2H3.
What are the key properties of 2-(dodecoxymethyl)-2-ethyloxetane?
2-(dodecoxymethyl)-2-ethyloxetane has a molecular weight of 284.48 g/mol, XLogP of 5.49, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecoxymethyl)-2-ethyloxetane is sourced from PubChem (CID 174506334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).