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(±)-Mevalonolactone
CAS: 674-26-0 | C6H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
674-26-0
Molecular Formula:
C6H10O3
Molecular Weight:
130.143 g/mol
Names and Synonyms:
(±)-Mevalonolactone
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (±)-
Tetrahydro-4-hydroxy-4-methyl-2H-pyran-2-one
DL-Mevalonic acid lactone
DL-Mevalonolactone
(±)-Mevalolactone
(RS)-Mevalonolactone
(±)-Mevalonolactone
DL-Mevalonic acid δ-lactone
β-Hydroxy-β-methyl-δ-valerolactone
Mevalolactone
Mevalonic acid lactone
Mevalonic acid δ-lactone
Mevalonic lactone
Mevalonolactone
MVSL
NSC 90804
Identifiers:
SMILES:
CC1(O)CCOC(=O)C1
InChI:
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
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 | 130.143 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.06299418 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.07440000000000002 | RDKit |
| molecular_mass | 130.14 g/mol | Legacy Database |
| cas-boiling-point | 148-151 °C @ Press: 5 Torr None | Legacy Database |
| cas-canonical-smile | O=C1OCCC(O)(C)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JYVXNLLUYHCIIH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 27-28 °C None | Legacy Database |
| cas-name | (±)-Mevalonolactone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.816799999999986 | RDKit |
