2,6,10-Trimethyltetradecane
PubChem CID: 85785
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| Compound Synonyms | 2,6,10-Trimethyltetradecane, Tetradecane, 2,6,10-trimethyl-, 14905-56-7, UKT7FUH5HQ, DTXSID90933535, UNII-UKT7FUH5HQ, 2,6,10-trimethyl-tetradecane, Tetradecane, 2,6,10trimethyl, DTXCID401362196, NS00076509 |
|---|---|
| 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 | CCCCCCCCCCCCCC)C)))))C)))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10-trimethyltetradecane |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IMTCMWSWXFQQDL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -7.07 |
| Rotatable Bond Count | 11.0 |
| Logd | 6.288 |
| Synonyms | 2,6,10-trimethyl tetradecane, 2,6,10-trimethyltetradecane |
| Esol Class | Moderately soluble |
| Compound Name | 2,6,10-Trimethyltetradecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 240.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.997745 |
| Inchi | InChI=1S/C17H36/c1-6-7-11-16(4)13-9-14-17(5)12-8-10-15(2)3/h15-17H,6-14H2,1-5H3 |
| Smiles | CCCCC(C)CCCC(C)CCCC(C)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 Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644099