4,6,8-Trimethylazulene
PubChem CID: 70333
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4,6,8-Trimethylazulene, 941-81-1, Azulene, 4,6,8-trimethyl-, B2FWN4WP77, EINECS 213-383-6, NSC-79580, CHEBI:87304, DTXSID40240529, NSC 79580, 2,4,6-Trimethylbicyclo(5.3.0)deca-2,4,6,8,10-pentaene, NSC79580, 4,8-Trimethylazulene, Azulene,6,8-trimethyl-, 4,6,8-trimethyl-azulene, UNII-B2FWN4WP77, 4,6,8-Trimethylazulene #, DTXCID20163020, STL512516, AKOS006229061, NS00040220, Q27159511, 2,6-Trimethylbicyclo[5.3.0]deca-2,4,6,8,10-pentaene, 213-383-6 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6,8-trimethylazulene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Is Pains | False |
| Molecular Formula | C13H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUNBRXWUHPOTOO-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 4,6,8-Trimethylazulene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.11 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 170.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9848117692307685 |
| Inchi | InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3 |
| Smiles | CC1=CC(=C2C=CC=C2C(=C1)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients