3,7,11,15-Tetramethyl-1-hexadecanol
PubChem CID: 102459
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| Compound Synonyms | Dihydrophytol, 3,7,11,15-Tetramethylhexadecan-1-ol, 645-72-7, 1-Hexadecanol,3,7,11,15-tetramethyl-, 3,7,11,15-Tetramethyl-1-hexadecanol, Phytanol, 1-Hexadecanol, 3,7,11,15-tetramethyl-, EINECS 211-453-0, AI3-36486, DTXSID00983061, 3,7,11,15-Tetramethylhexadecanol, 3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL, 3,7,11,15-Tetramethyl-1-hexadecanol, 3,7,11,15-Tetramethylhexadecanol, Octahydrogeranylgeraniol, Phytanic Alcohol, SCHEMBL95738, CHEMBL4206760, DTXCID00964719, MFCD00046007, LMPR0104010026, AS-75991, 3,7,11,15-Tetramethyl-1-hexadecanol #, NS00041810, P1750, D97723, 211-453-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Phytane diterpenoids |
| Deep Smiles | OCCCCCCCCCCCCCCCC)C)))))C)))))C)))))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3,7,11,15-tetramethylhexadecan-1-ol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H42O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AJAKLDUGVSKVDG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -6.828 |
| Rotatable Bond Count | 14.0 |
| Logd | 5.847 |
| Synonyms | dihydrophytol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 3,7,11,15-Tetramethyl-1-hexadecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.324 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 298.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.115740999999999 |
| Inchi | InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3 |
| Smiles | CC(C)CCCC(C)CCCC(C)CCCC(C)CCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Piper Kadsura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Prunella Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1278183 - 10. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699255