3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane

C8H16N2O3 — CID 89197968

IUPAC3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane
SMILESC=C1N(COC)COCN1COC
InChIInChI=1S/C8H16N2O3/c1-8-9(4-11-2)6-13-7-10(8)5-12-3/h1,4-7H2,2-3H3
InChIKeyAHJMBTZEIVLDQS-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.21
Rot. Bonds4

About 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane

3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane (PubChem CID 89197968) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane.

Molecular Properties

Compound Name3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane
PubChem CID89197968
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane
SMILESC=C1N(COC)COCN1COC
InChIInChI=1S/C8H16N2O3/c1-8-9(4-11-2)6-13-7-10(8)5-12-3/h1,4-7H2,2-3H3
InChIKeyAHJMBTZEIVLDQS-UHFFFAOYSA-N
XLogP0.21
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.21
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)-4-methylidene-1,3,5-oxadiazinane?
The IUPAC name of 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane (CID 89197968) is 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane.
What is the SMILES notation for 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane?
The canonical SMILES for 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane is C=C1N(COC)COCN1COC.
What is the InChIKey of 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane?
The InChIKey is AHJMBTZEIVLDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8-9(4-11-2)6-13-7-10(8)5-12-3/h1,4-7H2,2-3H3.
What are the key properties of 3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane?
3,5-bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane has a molecular weight of 188.23 g/mol, XLogP of 0.21, 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)-4-methylidene-1,3,5-oxadiazinane is sourced from PubChem (CID 89197968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).