Guaia-3,9-diene
PubChem CID: 585005
Connections displayed (default: 10).
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| Compound Synonyms | Guaia-3,9-diene, CVIGNZLXCQGQNR-UHFFFAOYSA-N, 5-Isopropyl-3,8-dimethyl-1,2,4,5,6,7-hexahydroazulene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene |
| Prediction Hob | 0.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVIGNZLXCQGQNR-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.832 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.601 |
| Compound Name | Guaia-3,9-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2649133999999997 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10,13H,5-9H2,1-4H3 |
| Smiles | CC1=C2CCC(=C2CC(CC1)C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients