3-(methoxymethoxy)-1-propan-2-ylazetidine

C8H17NO2 — CID 20517314

IUPAC3-(methoxymethoxy)-1-propan-2-ylazetidine
SMILESCOCOC1CN(C(C)C)C1
InChIInChI=1S/C8H17NO2/c1-7(2)9-4-8(5-9)11-6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyOXEJYBKPQIJWQH-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.70
Rot. Bonds4

About 3-(methoxymethoxy)-1-propan-2-ylazetidine

3-(methoxymethoxy)-1-propan-2-ylazetidine (PubChem CID 20517314) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(methoxymethoxy)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(methoxymethoxy)-1-propan-2-ylazetidine
PubChem CID20517314
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(methoxymethoxy)-1-propan-2-ylazetidine
SMILESCOCOC1CN(C(C)C)C1
InChIInChI=1S/C8H17NO2/c1-7(2)9-4-8(5-9)11-6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyOXEJYBKPQIJWQH-UHFFFAOYSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-1-propan-2-ylazetidine?
The IUPAC name of 3-(methoxymethoxy)-1-propan-2-ylazetidine (CID 20517314) is 3-(methoxymethoxy)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(methoxymethoxy)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(methoxymethoxy)-1-propan-2-ylazetidine is COCOC1CN(C(C)C)C1.
What is the InChIKey of 3-(methoxymethoxy)-1-propan-2-ylazetidine?
The InChIKey is OXEJYBKPQIJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)9-4-8(5-9)11-6-10-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(methoxymethoxy)-1-propan-2-ylazetidine?
3-(methoxymethoxy)-1-propan-2-ylazetidine has a molecular weight of 159.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-1-propan-2-ylazetidine is sourced from PubChem (CID 20517314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).