(E)-7-hydroxy-26-methyltriacont-26-en-4-one
PubChem CID: 101041119
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-7-hydroxy-26-methyltriacont-26-en-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 12.2 |
| Molecular Formula | C31H60O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RDZHHDNYRRATFQ-RMLRFSFXSA-N |
| Fcsp3 | 0.9032258064516128 |
| Logs | -6.435 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.503 |
| Compound Name | (E)-7-hydroxy-26-methyltriacont-26-en-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 464.459 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 464.459 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 464.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.704477800000003 |
| Inchi | InChI=1S/C31H60O2/c1-4-6-24-29(3)25-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-26-31(33)28-27-30(32)23-5-2/h24,31,33H,4-23,25-28H2,1-3H3/b29-24+ |
| Smiles | CCC/C=C(\C)/CCCCCCCCCCCCCCCCCCC(CCC(=O)CCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients