(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide

C10H22BrNO3 — CID 14522795

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide
SMILESCC1(C)OCC(C[N+](C)(C)CCO)O1.[Br-]
InChIInChI=1S/C10H22NO3.BrH/c1-10(2)13-8-9(14-10)7-11(3,4)5-6-12;/h9,12H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyIYIDOGOYXYOUNG-UHFFFAOYSA-M
MW284.19 g/mol
LogP-2.79
Rot. Bonds4

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide (PubChem CID 14522795) has the molecular formula C10H22BrNO3 and a molecular weight of 284.19 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide
PubChem CID14522795
Molecular FormulaC10H22BrNO3
Molecular Weight284.19 g/mol
Exact Mass283.08
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide
SMILESCC1(C)OCC(C[N+](C)(C)CCO)O1.[Br-]
InChIInChI=1S/C10H22NO3.BrH/c1-10(2)13-8-9(14-10)7-11(3,4)5-6-12;/h9,12H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyIYIDOGOYXYOUNG-UHFFFAOYSA-M
XLogP-2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 5-2.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide (CID 14522795) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide is CC1(C)OCC(C[N+](C)(C)CCO)O1.[Br-].
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide?
The InChIKey is IYIDOGOYXYOUNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO3.BrH/c1-10(2)13-8-9(14-10)7-11(3,4)5-6-12;/h9,12H,5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide has a molecular weight of 284.19 g/mol, XLogP of -2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)-dimethylazanium bromide is sourced from PubChem (CID 14522795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).