4-tert-butyl-2-methoxymorpholine

C9H19NO2 — CID 139320062

IUPAC4-tert-butyl-2-methoxymorpholine
SMILESCOC1CN(C(C)(C)C)CCO1
InChIInChI=1S/C9H19NO2/c1-9(2,3)10-5-6-12-8(7-10)11-4/h8H,5-7H2,1-4H3
InChIKeySSXRJPMQXAUHHC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.09
Rot. Bonds1

About 4-tert-butyl-2-methoxymorpholine

4-tert-butyl-2-methoxymorpholine (PubChem CID 139320062) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxymorpholine.

Molecular Properties

Compound Name4-tert-butyl-2-methoxymorpholine
PubChem CID139320062
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-tert-butyl-2-methoxymorpholine
SMILESCOC1CN(C(C)(C)C)CCO1
InChIInChI=1S/C9H19NO2/c1-9(2,3)10-5-6-12-8(7-10)11-4/h8H,5-7H2,1-4H3
InChIKeySSXRJPMQXAUHHC-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxymorpholine?
The IUPAC name of 4-tert-butyl-2-methoxymorpholine (CID 139320062) is 4-tert-butyl-2-methoxymorpholine.
What is the SMILES notation for 4-tert-butyl-2-methoxymorpholine?
The canonical SMILES for 4-tert-butyl-2-methoxymorpholine is COC1CN(C(C)(C)C)CCO1.
What is the InChIKey of 4-tert-butyl-2-methoxymorpholine?
The InChIKey is SSXRJPMQXAUHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,3)10-5-6-12-8(7-10)11-4/h8H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-2-methoxymorpholine?
4-tert-butyl-2-methoxymorpholine has a molecular weight of 173.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxymorpholine is sourced from PubChem (CID 139320062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).