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

C12H23NO3 — CID 138749050

IUPAC4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine
SMILESCCC1(C)OCC(CN2CCOCC2)CO1
InChIInChI=1S/C12H23NO3/c1-3-12(2)15-9-11(10-16-12)8-13-4-6-14-7-5-13/h11H,3-10H2,1-2H3
InChIKeyANUGIDNPFRKPGB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.11
Rot. Bonds3

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

4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine (PubChem CID 138749050) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine
PubChem CID138749050
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine
SMILESCCC1(C)OCC(CN2CCOCC2)CO1
InChIInChI=1S/C12H23NO3/c1-3-12(2)15-9-11(10-16-12)8-13-4-6-14-7-5-13/h11H,3-10H2,1-2H3
InChIKeyANUGIDNPFRKPGB-UHFFFAOYSA-N
XLogP1.11
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.11
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-dioxan-5-yl)methyl]morpholine?
The IUPAC name of 4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine (CID 138749050) is 4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine is CCC1(C)OCC(CN2CCOCC2)CO1.
What is the InChIKey of 4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine?
The InChIKey is ANUGIDNPFRKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(2)15-9-11(10-16-12)8-13-4-6-14-7-5-13/h11H,3-10H2,1-2H3.
What are the key properties of 4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine?
4-[(2-ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine has a molecular weight of 229.32 g/mol, XLogP of 1.11, 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-dioxan-5-yl)methyl]morpholine is sourced from PubChem (CID 138749050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).