4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine

C11H21NO3 — CID 122436316

IUPAC4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine
SMILESCC1(C)OCC(CN2CCOCC2)CO1
InChIInChI=1S/C11H21NO3/c1-11(2)14-8-10(9-15-11)7-12-3-5-13-6-4-12/h10H,3-9H2,1-2H3
InChIKeyJEZOBGSDQMIBEQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.72
Rot. Bonds2

About 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine

4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine (PubChem CID 122436316) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine
PubChem CID122436316
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine
SMILESCC1(C)OCC(CN2CCOCC2)CO1
InChIInChI=1S/C11H21NO3/c1-11(2)14-8-10(9-15-11)7-12-3-5-13-6-4-12/h10H,3-9H2,1-2H3
InChIKeyJEZOBGSDQMIBEQ-UHFFFAOYSA-N
XLogP0.72
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.72
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-dioxan-5-yl)methyl]morpholine?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine (CID 122436316) is 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine is CC1(C)OCC(CN2CCOCC2)CO1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine?
The InChIKey is JEZOBGSDQMIBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2)14-8-10(9-15-11)7-12-3-5-13-6-4-12/h10H,3-9H2,1-2H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine?
4-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]morpholine has a molecular weight of 215.29 g/mol, XLogP of 0.72, 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-dioxan-5-yl)methyl]morpholine is sourced from PubChem (CID 122436316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).