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Molecule
Geranylgeraniol
CAS: 24034-73-9 · C20H34O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24034-73-9
- Molecular Formula
- C20H34O
- Molecular Mass
- 290.49 g/mol
Identifiers
CAS Registry Number
24034-73-9
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChI Key
OJISWRZIEWCUBN-QIRCYJPOSA-N
InChI
InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
Names and Synonyms
- Geranylgeraniol Synonym
- 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (2E,6E,10E)- Synonym
- 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (E,E,E)- Synonym
- (2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-ol Synonym
- Geranylgeraniol Synonym
- trans-Geranylgeraniol Synonym
- All-trans-Geranylgeraniol Synonym
- trans,trans,trans-Geranylgeraniol Synonym
- (E,E,E)-Geranylgeraniol Synonym
- Geranylgeranyl alcohol Synonym
- (E,E,E)-Geranylgeranyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.49 g/mol | CAS Common Chemistry |
| 290.491 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8930 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+ | CAS Common Chemistry |
| InChI Key | InChIKey=OJISWRZIEWCUBN-QIRCYJPOSA-N | CAS Common Chemistry |
| Name | Geranylgeraniol | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 6.124400000000007 | RDKit |
| 6.1244 | RDKit | |
| 6.33 | chempirical lib | |
| Molar Refractivity | 95.48980000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 290.260965708 g/mol | RDKit |
| Boiling Point | 152-153 °C @ 0.07 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
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MW = 290.49 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
