5-methyl-1,3,5-dioxazinane

C4H9NO2 — CID 637965

IUPAC5-methyl-1,3,5-dioxazinane
SMILESCN1COCOC1
InChIInChI=1S/C4H9NO2/c1-5-2-6-4-7-3-5/h2-4H2,1H3
InChIKeyPABKMMYQJAMAOS-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.16
Rot. Bonds

About 5-methyl-1,3,5-dioxazinane

5-methyl-1,3,5-dioxazinane (PubChem CID 637965) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 5-methyl-1,3,5-dioxazinane.

Molecular Properties

Compound Name5-methyl-1,3,5-dioxazinane
PubChem CID637965
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name5-methyl-1,3,5-dioxazinane
SMILESCN1COCOC1
InChIInChI=1S/C4H9NO2/c1-5-2-6-4-7-3-5/h2-4H2,1H3
InChIKeyPABKMMYQJAMAOS-UHFFFAOYSA-N
XLogP-0.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,5-dioxazinane?
The IUPAC name of 5-methyl-1,3,5-dioxazinane (CID 637965) is 5-methyl-1,3,5-dioxazinane.
What is the SMILES notation for 5-methyl-1,3,5-dioxazinane?
The canonical SMILES for 5-methyl-1,3,5-dioxazinane is CN1COCOC1.
What is the InChIKey of 5-methyl-1,3,5-dioxazinane?
The InChIKey is PABKMMYQJAMAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-2-6-4-7-3-5/h2-4H2,1H3.
What are the key properties of 5-methyl-1,3,5-dioxazinane?
5-methyl-1,3,5-dioxazinane has a molecular weight of 103.12 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,5-dioxazinane is sourced from PubChem (CID 637965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).