Back to Search
Molecule
Teprenone
CAS: 6809-52-5 · C23H38O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6809-52-5
- Molecular Formula
- C23H38O
- Molecular Mass
- 330.56 g/mol
Identifiers
CAS Registry Number
6809-52-5
SMILES
CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChI Key
HUCXKZBETONXFO-UHFFFAOYSA-N
InChI
InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3
Names and Synonyms
- Teprenone Common Name
- 5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18-tetramethyl- Synonym
- 6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetraen-2-one Synonym
- Teprenone Synonym
- Selbex Synonym
- Geranylgeranylacetone Synonym
- E 36U31 Synonym
- E 0671 Synonym
- GGA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.56 g/mol | CAS Common Chemistry |
| 330.5560000000001 g/mol | RDKit | |
| 330.556 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9081 g/cm3 @ 20.5 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUCXKZBETONXFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Teprenone | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 7.501300000000008 | RDKit |
| 7.5013 | RDKit | |
| 7.2 | chempirical lib | |
| Molar Refractivity | 108.31900000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6087 | RDKit |
| 0.61 | chempirical lib | |
| Exact Mass | 330.292265836 g/mol | RDKit |
| Boiling Point | 155-160 °C @ 0.01 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 330.56 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
