2-ethyl-2-(octoxymethyl)oxetane

C14H28O2 — CID 174647018

IUPAC2-ethyl-2-(octoxymethyl)oxetane
SMILESCCCCCCCCOCC1(CC)CCO1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-9-11-15-13-14(4-2)10-12-16-14/h3-13H2,1-2H3
InChIKeyZJRLLAXLNJZZGI-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds10

About 2-ethyl-2-(octoxymethyl)oxetane

2-ethyl-2-(octoxymethyl)oxetane (PubChem CID 174647018) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethyl-2-(octoxymethyl)oxetane.

Molecular Properties

Compound Name2-ethyl-2-(octoxymethyl)oxetane
PubChem CID174647018
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-ethyl-2-(octoxymethyl)oxetane
SMILESCCCCCCCCOCC1(CC)CCO1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-9-11-15-13-14(4-2)10-12-16-14/h3-13H2,1-2H3
InChIKeyZJRLLAXLNJZZGI-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(octoxymethyl)oxetane?
The IUPAC name of 2-ethyl-2-(octoxymethyl)oxetane (CID 174647018) is 2-ethyl-2-(octoxymethyl)oxetane.
What is the SMILES notation for 2-ethyl-2-(octoxymethyl)oxetane?
The canonical SMILES for 2-ethyl-2-(octoxymethyl)oxetane is CCCCCCCCOCC1(CC)CCO1.
What is the InChIKey of 2-ethyl-2-(octoxymethyl)oxetane?
The InChIKey is ZJRLLAXLNJZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-6-7-8-9-11-15-13-14(4-2)10-12-16-14/h3-13H2,1-2H3.
What are the key properties of 2-ethyl-2-(octoxymethyl)oxetane?
2-ethyl-2-(octoxymethyl)oxetane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(octoxymethyl)oxetane is sourced from PubChem (CID 174647018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).