4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine

C11H21NO3 — CID 13264215

IUPAC4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine
SMILESCCC1(C)OCC(CN2CCOCC2)O1
InChIInChI=1S/C11H21NO3/c1-3-11(2)14-9-10(15-11)8-12-4-6-13-7-5-12/h10H,3-9H2,1-2H3
InChIKeyYDMXMDJCQLSNII-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.86
Rot. Bonds3

About 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine

4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine (PubChem CID 13264215) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine
PubChem CID13264215
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine
SMILESCCC1(C)OCC(CN2CCOCC2)O1
InChIInChI=1S/C11H21NO3/c1-3-11(2)14-9-10(15-11)8-12-4-6-13-7-5-12/h10H,3-9H2,1-2H3
InChIKeyYDMXMDJCQLSNII-UHFFFAOYSA-N
XLogP0.86
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine?
The IUPAC name of 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine (CID 13264215) is 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine is CCC1(C)OCC(CN2CCOCC2)O1.
What is the InChIKey of 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine?
The InChIKey is YDMXMDJCQLSNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-11(2)14-9-10(15-11)8-12-4-6-13-7-5-12/h10H,3-9H2,1-2H3.
What are the key properties of 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine?
4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine has a molecular weight of 215.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]morpholine is sourced from PubChem (CID 13264215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).