Pentacosane, 13-cyclohexyl-
PubChem CID: 138811
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| Compound Synonyms | Pentacosane, 13-cyclohexyl-, 6697-15-0, DTXSID10217182, Cyclohexane, (1-dodecyltridecyl)-, NSC 125398, 13-Cyclohexylpentacosane, NSC125398, 13-cyclohexyl-pentacosane, DTXCID10139673, NSC-125398 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentacosan-13-ylcyclohexane |
| Prediction Hob | 0.0 |
| Xlogp | 16.2 |
| Molecular Formula | C31H62 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLFCYTDOKTZLIJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -8.128 |
| Rotatable Bond Count | 23.0 |
| Logd | 5.921 |
| Compound Name | Pentacosane, 13-cyclohexyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.485 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.485 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 434.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -11.230289400000002 |
| Inchi | InChI=1S/C31H62/c1-3-5-7-9-11-13-15-17-19-22-26-30(31-28-24-21-25-29-31)27-23-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3 |
| Smiles | CCCCCCCCCCCCC(CCCCCCCCCCCC)C1CCCCC1 |
| Nring | 1.0 |
| 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 Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients