1-Triacontene
PubChem CID: 87639
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| Compound Synonyms | 1-Triacontene, triacont-1-ene, 18435-53-5, UNII-Q9JA45UU2R, 36731-14-3, Q9JA45UU2R, 1-Triacontene, contains C26-54 homologs, EINECS 242-314-2, DTXSID5066378, DTXCID1035862, NS00021785, Q27287152, 242-314-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacont-1-ene |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 16.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H60 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WMZHDICSCDKPFS-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.9333333333333332 |
| Logs | -7.998 |
| Rotatable Bond Count | 27.0 |
| Logd | 5.121 |
| Synonyms | 1-triacontene, triacont-1-ene |
| Esol Class | Insoluble |
| Functional Groups | C=CC |
| Compound Name | 1-Triacontene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.47 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.47 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 420.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -11.080922000000001 |
| Inchi | InChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Commiphora Myrrha (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Lophophora Williamsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ophiopogon Intermedius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Porophyllum Ruderale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Traversia Baccharoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all