3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine

C5H9NO2 — CID 59168915

IUPAC3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine
SMILESCC1=NOC(C)CO1
InChIInChI=1S/C5H9NO2/c1-4-3-7-5(2)6-8-4/h4H,3H2,1-2H3
InChIKeyITTOICDLBIVIOP-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.76
Rot. Bonds

About 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine

3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine (PubChem CID 59168915) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Name3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine
PubChem CID59168915
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine
SMILESCC1=NOC(C)CO1
InChIInChI=1S/C5H9NO2/c1-4-3-7-5(2)6-8-4/h4H,3H2,1-2H3
InChIKeyITTOICDLBIVIOP-UHFFFAOYSA-N
XLogP0.76
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine (CID 59168915) is 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine is CC1=NOC(C)CO1.
What is the InChIKey of 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is ITTOICDLBIVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-3-7-5(2)6-8-4/h4H,3H2,1-2H3.
What are the key properties of 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine?
3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 115.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 59168915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).