3-ethyl-3-(propoxymethyl)oxetane

C9H18O2 — CID 20732660

IUPAC3-ethyl-3-(propoxymethyl)oxetane
SMILESCCCOCC1(CC)COC1
InChIInChI=1S/C9H18O2/c1-3-5-10-6-9(4-2)7-11-8-9/h3-8H2,1-2H3
InChIKeyATTKSWOOPYMTHL-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds5

About 3-ethyl-3-(propoxymethyl)oxetane

3-ethyl-3-(propoxymethyl)oxetane (PubChem CID 20732660) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-ethyl-3-(propoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(propoxymethyl)oxetane
PubChem CID20732660
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-ethyl-3-(propoxymethyl)oxetane
SMILESCCCOCC1(CC)COC1
InChIInChI=1S/C9H18O2/c1-3-5-10-6-9(4-2)7-11-8-9/h3-8H2,1-2H3
InChIKeyATTKSWOOPYMTHL-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
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 3-ethyl-3-(propoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(propoxymethyl)oxetane (CID 20732660) is 3-ethyl-3-(propoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(propoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(propoxymethyl)oxetane is CCCOCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(propoxymethyl)oxetane?
The InChIKey is ATTKSWOOPYMTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-5-10-6-9(4-2)7-11-8-9/h3-8H2,1-2H3.
What are the key properties of 3-ethyl-3-(propoxymethyl)oxetane?
3-ethyl-3-(propoxymethyl)oxetane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(propoxymethyl)oxetane is sourced from PubChem (CID 20732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).