3-methyl-3-(propoxymethyl)oxetane

C8H16O2 — CID 59196976

IUPAC3-methyl-3-(propoxymethyl)oxetane
SMILESCCCOCC1(C)COC1
InChIInChI=1S/C8H16O2/c1-3-4-9-5-8(2)6-10-7-8/h3-7H2,1-2H3
InChIKeyZZMIYCORZNEHBY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-3-(propoxymethyl)oxetane

3-methyl-3-(propoxymethyl)oxetane (PubChem CID 59196976) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methyl-3-(propoxymethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(propoxymethyl)oxetane
PubChem CID59196976
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methyl-3-(propoxymethyl)oxetane
SMILESCCCOCC1(C)COC1
InChIInChI=1S/C8H16O2/c1-3-4-9-5-8(2)6-10-7-8/h3-7H2,1-2H3
InChIKeyZZMIYCORZNEHBY-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
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-methyl-3-(propoxymethyl)oxetane?
The IUPAC name of 3-methyl-3-(propoxymethyl)oxetane (CID 59196976) is 3-methyl-3-(propoxymethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(propoxymethyl)oxetane?
The canonical SMILES for 3-methyl-3-(propoxymethyl)oxetane is CCCOCC1(C)COC1.
What is the InChIKey of 3-methyl-3-(propoxymethyl)oxetane?
The InChIKey is ZZMIYCORZNEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-9-5-8(2)6-10-7-8/h3-7H2,1-2H3.
What are the key properties of 3-methyl-3-(propoxymethyl)oxetane?
3-methyl-3-(propoxymethyl)oxetane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propoxymethyl)oxetane is sourced from PubChem (CID 59196976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).