1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride

C7H14Cl2NO2- — CID 23219381

IUPAC1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride
SMILESCC(=O)C1COC(C)(C)[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/C7H13NO2.2ClH/c1-5(9)6-4-10-7(2,3)8-6;;/h6,8H,4H2,1-3H3;2*1H/p-1
InChIKeyLYGDKQXMWMCXMP-UHFFFAOYSA-M
MW215.10 g/mol
LogP-6.72
Rot. Bonds1

About 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride

1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride (PubChem CID 23219381) has the molecular formula C7H14Cl2NO2- and a molecular weight of 215.10 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride
PubChem CID23219381
Molecular FormulaC7H14Cl2NO2-
Molecular Weight215.10 g/mol
Exact Mass214.04
IUPAC Name1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride
SMILESCC(=O)C1COC(C)(C)[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/C7H13NO2.2ClH/c1-5(9)6-4-10-7(2,3)8-6;;/h6,8H,4H2,1-3H3;2*1H/p-1
InChIKeyLYGDKQXMWMCXMP-UHFFFAOYSA-M
XLogP-6.72
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 5-6.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 15175420
2,2-Dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 22602330
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 59229762
1-(2,4-Dimethyl-1,3-oxazolidin-5-id-4-yl)ethanone;uranium
CID 59247969
2-Methyl-1,3-oxazolidine-4-carbaldehyde
CID 91089440
1-[2-(Aminomethyl)-1,3-oxazolidin-4-yl]ethanone
CID 122546953
2,2,5-Trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 123659182
1-[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanone
CID 132029875
(5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 144653716
1-(1,3-Oxazolidin-4-yl)propan-1-one
CID 154652214
2,2-Dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone
CID 165388228
2-(2,2-Dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde
CID 174440020

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride?
The IUPAC name of 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride (CID 23219381) is 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride?
The canonical SMILES for 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride is CC(=O)C1COC(C)(C)[NH2+]1.[Cl-].[Cl-].
What is the InChIKey of 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride?
The InChIKey is LYGDKQXMWMCXMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO2.2ClH/c1-5(9)6-4-10-7(2,3)8-6;;/h6,8H,4H2,1-3H3;2*1H/p-1.
What are the key properties of 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride?
1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride has a molecular weight of 215.10 g/mol, XLogP of -6.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride is sourced from PubChem (CID 23219381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).