4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine

C12H23NO3 — CID 66472303

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1CCC1OCCCO1
InChIInChI=1S/C12H23NO3/c1-12(2)10-14-9-6-13(12)5-4-11-15-7-3-8-16-11/h11H,3-10H2,1-2H3
InChIKeyOLIABZZNRYWQPP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.25
Rot. Bonds3

About 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine

4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine (PubChem CID 66472303) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
PubChem CID66472303
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1CCC1OCCCO1
InChIInChI=1S/C12H23NO3/c1-12(2)10-14-9-6-13(12)5-4-11-15-7-3-8-16-11/h11H,3-10H2,1-2H3
InChIKeyOLIABZZNRYWQPP-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine (CID 66472303) is 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine is CC1(C)COCCN1CCC1OCCCO1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine?
The InChIKey is OLIABZZNRYWQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2)10-14-9-6-13(12)5-4-11-15-7-3-8-16-11/h11H,3-10H2,1-2H3.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine?
4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine has a molecular weight of 229.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 66472303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).