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Dimethyl Succinate
CAS: 106-65-0 | C6H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-65-0
Molecular Formula:
C6H10O4
Molecular Weight:
146.142 g/mol
Names and Synonyms:
Dimethyl Succinate
Butanedioic acid, 1,4-dimethyl ester
Succinic acid, dimethyl ester
Butanedioic acid, dimethyl ester
Dimethyl succinate
Methyl succinate
Dimethyl butanedioate
DBE 4
NSC 52209
Rhodiasolv RDEP
Dimethyl 1,4-butanedioate
Provichem 2511
Proviron 2511ECO
Identifiers:
SMILES:
COC(=O)CCC(=O)OC
InChI:
InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.142 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.0579088 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.11259999999999981 | RDKit |
| molecular_mass | 146.14 g/mol | Legacy Database |
| density | 1.12 g/cm³ | Legacy Database |
| cas-boiling-point | 195.3 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OC)CCC(=O)OC None | Legacy Database |
| cas-density | 1.1202 g/cm3 @ Temp: 18 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MUXOBHXGJLMRAB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 19.5 °C None | Legacy Database |
| cas-name | Dimethyl succinate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.26599999999999 | RDKit |
