(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene
PubChem CID: 163005396
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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 | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene |
| Prediction Hob | 1.0 |
| Xlogp | 11.1 |
| Molecular Formula | C25H48 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJQZREBAXWNCAX-QZDZOKHOSA-N |
| Fcsp3 | 0.84 |
| Logs | -7.287 |
| Rotatable Bond Count | 15.0 |
| Logd | 7.567 |
| Compound Name | (E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.376 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.376 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 348.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.004685799999999 |
| Inchi | InChI=1S/C25H48/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/h9,15,20-23,25H,1,10-14,16-19H2,2-8H3/b24-15+/t22-,23-,25+/m0/s1 |
| Smiles | C[C@@H](CCCC(C)C)CC[C@@H](CC[C@@H](C)C=C)/C(=C/CCC(C)C)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tripartitum (Plant) Rel Props:Source_db:cmaup_ingredients