3,7,11,15-Tetramethylhexadec-1-yn-3-ol
PubChem CID: 119867
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| Compound Synonyms | 3,7,11,15-Tetramethylhexadec-1-yn-3-ol, 29171-23-1, Dehydroisophytol, 3,7,11,15-Tetramethyl-1-hexadecyn-3-ol, 1-Hexadecyn-3-ol, 3,7,11,15-tetramethyl-, Hexadec-1-yn-3-ol, 3,7,11,15-tetramethyl-, EINECS 249-484-7, starbld0011945, SCHEMBL4432004, DTXSID40951769, BBL009810, STK709218, AKOS001727038, AKOS016347359, VS-02194, 3,7,11,15-tetramethyl-1-hexadecin-3-ol, CS-0316258, NS00051328, 1-Hexadodecyn-3-ol, 3,7,11,15-trimethyl-, G86743, SR-01000526356, SR-01000526356-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C#CCCCCCCCCCCCCCC)C)))))C)))))C)))))O)C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,11,15-tetramethylhexadec-1-yn-3-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38O |
| Inchi Key | MULUCORRSAVKOA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | dehydroisophytol |
| Esol Class | Moderately soluble |
| Functional Groups | C#CC, CO |
| Compound Name | 3,7,11,15-Tetramethylhexadec-1-yn-3-ol |
| Exact Mass | 294.292 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.292 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 294.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H38O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,17-19,21H,8-16H2,2-6H3 |
| Smiles | CC(C)CCCC(C)CCCC(C)CCCC(C)(C#C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Torilis Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831575