3,5-bis(methoxymethyl)-1,3,5-oxadiazinane

C7H16N2O3 — CID 67624248

IUPAC3,5-bis(methoxymethyl)-1,3,5-oxadiazinane
SMILESCOCN1COCN(COC)C1
InChIInChI=1S/C7H16N2O3/c1-10-4-8-3-9(5-11-2)7-12-6-8/h3-7H2,1-2H3
InChIKeyVWOZINIQXPXBCY-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.30
Rot. Bonds4

About 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane

3,5-bis(methoxymethyl)-1,3,5-oxadiazinane (PubChem CID 67624248) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane.

Molecular Properties

Compound Name3,5-bis(methoxymethyl)-1,3,5-oxadiazinane
PubChem CID67624248
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name3,5-bis(methoxymethyl)-1,3,5-oxadiazinane
SMILESCOCN1COCN(COC)C1
InChIInChI=1S/C7H16N2O3/c1-10-4-8-3-9(5-11-2)7-12-6-8/h3-7H2,1-2H3
InChIKeyVWOZINIQXPXBCY-UHFFFAOYSA-N
XLogP-0.30
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane?
The IUPAC name of 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane (CID 67624248) is 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane.
What is the SMILES notation for 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane?
The canonical SMILES for 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane is COCN1COCN(COC)C1.
What is the InChIKey of 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane?
The InChIKey is VWOZINIQXPXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-10-4-8-3-9(5-11-2)7-12-6-8/h3-7H2,1-2H3.
What are the key properties of 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane?
3,5-bis(methoxymethyl)-1,3,5-oxadiazinane has a molecular weight of 176.22 g/mol, XLogP of -0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(methoxymethyl)-1,3,5-oxadiazinane is sourced from PubChem (CID 67624248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).