5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium

C7H14NO2+ — CID 90970433

IUPAC5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium
SMILESC=[N+]1COC(CCC)OC1
InChIInChI=1S/C7H14NO2/c1-3-4-7-9-5-8(2)6-10-7/h7H,2-6H2,1H3/q+1
InChIKeySOIDHHJYCAUFIO-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.79
Rot. Bonds2

About 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium

5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium (PubChem CID 90970433) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium.

Molecular Properties

Compound Name5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium
PubChem CID90970433
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium
SMILESC=[N+]1COC(CCC)OC1
InChIInChI=1S/C7H14NO2/c1-3-4-7-9-5-8(2)6-10-7/h7H,2-6H2,1H3/q+1
InChIKeySOIDHHJYCAUFIO-UHFFFAOYSA-N
XLogP0.79
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-propyl-1,3,5-trioxane
CID 68769940
2,5-dipropyl-1,3-dioxane
CID 21043213
CID 59269076
CID 59269076
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22910604
dipotassium;2-propyl-1,3-dioxane-5,5-dicarboxylate
CID 168866248
N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine
CID 141342670
5-ethyl-2-propyl-1,3-dioxane-5-carboxylic acid
CID 14047275
methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane
CID 157489835
4-propan-2-yl-2-propyl-1,3-dioxolane
CID 89076429
3-propyldioxetane
CID 20778371
2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane
CID 71384764
(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol
CID 22887028

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium?
The IUPAC name of 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium (CID 90970433) is 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium.
What is the SMILES notation for 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium?
The canonical SMILES for 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium is C=[N+]1COC(CCC)OC1.
What is the InChIKey of 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium?
The InChIKey is SOIDHHJYCAUFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2/c1-3-4-7-9-5-8(2)6-10-7/h7H,2-6H2,1H3/q+1.
What are the key properties of 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium?
5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium has a molecular weight of 144.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-propyl-1,3,5-dioxazinan-5-ium is sourced from PubChem (CID 90970433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).