4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one

C9H13NO7 — CID 163685791

IUPAC4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
SMILESCN(C)OCC1OC(=O)OC1C1COC(=O)O1
InChIInChI=1S/C9H13NO7/c1-10(2)14-4-6-7(17-9(12)16-6)5-3-13-8(11)15-5/h5-7H,3-4H2,1-2H3
InChIKeyJOTMPTSOENHRDN-UHFFFAOYSA-N
MW247.20 g/mol
LogP-0.08
Rot. Bonds4

About 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one

4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one (PubChem CID 163685791) has the molecular formula C9H13NO7 and a molecular weight of 247.20 g/mol. Its IUPAC name is 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
PubChem CID163685791
Molecular FormulaC9H13NO7
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
SMILESCN(C)OCC1OC(=O)OC1C1COC(=O)O1
InChIInChI=1S/C9H13NO7/c1-10(2)14-4-6-7(17-9(12)16-6)5-3-13-8(11)15-5/h5-7H,3-4H2,1-2H3
InChIKeyJOTMPTSOENHRDN-UHFFFAOYSA-N
XLogP-0.08
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-oxo-1,3-dioxolan-4-yl)-5-(trimethylsilyloxymethyl)-1,3-dioxolan-2-one
CID 153490130
(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one
CID 156664204
4-[5-[5-[5-[2,2-dioxo-5-[2-oxo-5-[2-oxo-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]-1,3,2-dioxathiolan-4-yl]-2,2-dioxo-1,3,2-dioxathiolan-4-yl]-2,2-dioxo-1,3,2-dioxathiolan-4-yl]-2-oxo-1,3-dioxolan-4-yl]-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
CID 167202584
(1S,2R,6R,8R)-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-4,11-dione
CID 171753799
[(6R,7S,7aS)-6-methyl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] hydrogen carbonate
CID 166083192
(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
CID 163561102
[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate
CID 139844221
4,5-bis(methoxymethyl)-1,3-dioxolan-2-one
CID 18353942
(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dioxolan-2-one
CID 10634140
sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
CID 23709778
(2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl) 2-(dimethyl-λ3-iodanyl)-2-methylpropanoate
CID 163528465
N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one
CID 174867976

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one (CID 163685791) is 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one is CN(C)OCC1OC(=O)OC1C1COC(=O)O1.
What is the InChIKey of 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
The InChIKey is JOTMPTSOENHRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO7/c1-10(2)14-4-6-7(17-9(12)16-6)5-3-13-8(11)15-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one has a molecular weight of 247.20 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminooxymethyl)-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one is sourced from PubChem (CID 163685791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).