4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine

C12H23NO3 — CID 4516478

IUPAC4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC2COC(C)(C)O2)CC(C)O1
InChIInChI=1S/C12H23NO3/c1-9-5-13(6-10(2)15-9)7-11-8-14-12(3,4)16-11/h9-11H,5-8H2,1-4H3
InChIKeyRVQLCYUNCUDMJE-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.25
Rot. Bonds2

About 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 4516478) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine
PubChem CID4516478
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC2COC(C)(C)O2)CC(C)O1
InChIInChI=1S/C12H23NO3/c1-9-5-13(6-10(2)15-9)7-11-8-14-12(3,4)16-11/h9-11H,5-8H2,1-4H3
InChIKeyRVQLCYUNCUDMJE-UHFFFAOYSA-N
XLogP1.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine (CID 4516478) is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine is CC1CN(CC2COC(C)(C)O2)CC(C)O1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is RVQLCYUNCUDMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9-5-13(6-10(2)15-9)7-11-8-14-12(3,4)16-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine?
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 229.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 4516478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).