Himachala-2,4-diene
PubChem CID: 583791
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Himachala-2,4-diene, DTXSID901019233, 60909-27-5, DTXCID701477221, 2,2,6,10-tetramethylbicyclo[5.4.0]undeca-1(11),9-diene, 3,5,5,9-Tetramethyl-5,6,7,8,9,9a-hexahydro-1H-benzo[a]cycloheptene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,5,9-tetramethyl-1,6,7,8,9,9a-hexahydrobenzo[7]annulene |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMGZKUMTFGHNRS-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -6.113 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.535 |
| Compound Name | Himachala-2,4-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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.105813399999999 |
| Inchi | InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7,10,12-13H,5-6,8-9H2,1-4H3 |
| Smiles | CC1CCCC(C2=CC(=CCC12)C)(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients