Phytane
PubChem CID: 12523
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| Compound Synonyms | Phytane, 638-36-8, 2,6,10,14-TETRAMETHYLHEXADECANE, Phytan, Hexadecane, 2,6,10,14-tetramethyl-, 2,6,10,14-tetramethyl-hexadecane, 27UZX1Q8TR, EINECS 211-332-2, Hexadecane,2,6,10,14-tetramethyl-, UNII-27UZX1Q8TR, TETRAHYDRONEOPHYTADIENE, CHEBI:48937, HSDB 8346, DTXSID70862339, Phytane 10 microg/mL in Isooctane, 2,6,10,14-Tetramethylhexdecane, Hexadecane, 2,6,10,14-tetramethyl-, Phytane (6CI), 2,6,10,14-Tetramethylhexadecane, Phytan, Tetrahydroneophytadiene, Phytane, analytical standard, DTXCID70811120, 2,6,10,14Tetramethylhexadecane, Hexadecane, 2,6,10,14tetramethyl, MFCD00060946, HY-W716889, LMPR0104010019, AS-87669, DB-244748, NS00042109, G77747, Q171701 |
|---|---|
| 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 | CCCCCCCCCCCCCCCC)C)))))C)))))C)))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10,14-tetramethylhexadecane |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H42 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGYKPYDKXLHNTI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.251 |
| Rotatable Bond Count | 13.0 |
| Logd | 6.835 |
| Synonyms | 2,6,10,14-tetramethyl hexadecane, 2,6,10,14-tetramethylhexadecane, 2,6,10,14-tetramethylhexadecane (phytane), phytane, phytane, |
| Esol Class | Poorly soluble |
| Compound Name | Phytane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.329 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 282.5 |
| 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 | -6.9645472 |
| Inchi | InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3 |
| Smiles | CCC(C)CCCC(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 |
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