(6E,9R,10E)-2,6,10,14-tetramethyl-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,10-triene
PubChem CID: 162958431
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6E,9R,10E)-2,6,10,14-tetramethyl-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,10-triene |
| Prediction Hob | 1.0 |
| Xlogp | 10.1 |
| Molecular Formula | C25H44 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MKKVQZKPCITHAF-UPQHHFBOSA-N |
| Fcsp3 | 0.68 |
| Logs | -7.143 |
| Rotatable Bond Count | 13.0 |
| Logd | 7.024 |
| Compound Name | (6E,9R,10E)-2,6,10,14-tetramethyl-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,10-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.344 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.344 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 344.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.469087400000001 |
| Inchi | InChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,12,15,17,21-22,25H,1,10-11,13-14,16,18-19H2,2-8H3/b23-17+,24-15+/t22-,25+/m0/s1 |
| Smiles | C[C@H](CC[C@H](C/C=C(\C)/CCC=C(C)C)/C(=C/CCC(C)C)/C)C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tripartitum (Plant) Rel Props:Source_db:cmaup_ingredients