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

C7H15NO2 — CID 90721512

IUPAC3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane
SMILESCC.CC1=NOCC(C)O1
InChIInChI=1S/C5H9NO2.C2H6/c1-4-3-7-6-5(2)8-4;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyPVXFRQZKYJYRPQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.78
Rot. Bonds

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

3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane (PubChem CID 90721512) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane.

Molecular Properties

Compound Name3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane
PubChem CID90721512
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane
SMILESCC.CC1=NOCC(C)O1
InChIInChI=1S/C5H9NO2.C2H6/c1-4-3-7-6-5(2)8-4;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyPVXFRQZKYJYRPQ-UHFFFAOYSA-N
XLogP1.78
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane?
The IUPAC name of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane (CID 90721512) is 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane.
What is the SMILES notation for 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane?
The canonical SMILES for 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane is CC.CC1=NOCC(C)O1.
What is the InChIKey of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane?
The InChIKey is PVXFRQZKYJYRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-4-3-7-6-5(2)8-4;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane?
3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane has a molecular weight of 145.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;ethane is sourced from PubChem (CID 90721512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).