(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
PubChem CID: 6443227
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| Compound Synonyms | (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene, 62235-06-7, TMTT, 1,3,7,11-Tridecatetraene, 4,8,12-trimethyl-, (3E,7E)-, 4,8,12-trimethyltrideca 1,3,7,11-tetraene, (3e,7e)-4,8,12-trimethyl-1,3,7,11-tridecatetraene, 2,6,10-Trimethyl-(E,E)-2,6,10,12-tridecatetraene, (e,e)-4,8,12-trimethyl-1,3,7,11-tridecatetraene, 4,8,12-trimethyl-1,3,7,11-tridecatetraene, 4,8,12-trimethyltrideca-1,3,7,11-tetraene, starbld0005077, CHEBI:74322, CWLVBFJCJXHUCF-RNPYNJAESA-N, DTXSID101244597, LMFA11000335, AKOS025296143, DB-214826, C20700, G63212, (E,E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene, Q27144612, (3E,7E)-4,8,12-trimethyltrideca 1,3,7,11-tetraene, 1,3,7,11-Tridecatetraene, 4,8,12-trimethyl-, (E,E)- |
|---|---|
| Ghose Rule | True |
| 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 | C=C/C=C/CC/C=C/CCC=CC)C)))))C)))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H26 |
| Inchi Key | CWLVBFJCJXHUCF-RNPYNJAESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (3E,7E)-4,8,12-Trimethyltrideca 1,3,7,11-tetraene, TMTT, 4,8,12-Trimethyl-1,3,7,11-tridecatetraene, (3E,7E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene, (e,e)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene, (e,e)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene, 4,8,12-Trimethyl-1,3E,7E,11-tridecatetraene, 4,8,12-Trimethyltrideca-1,3,7,11-tetraene, (3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene, (3e,7e)-4,8,12-trimethyltridena-1,3,7,11-tetraene, 3e,7e-4,8,12-trimethyltrideca-1,3,7,11-tetraene, 4,8,12-trimethyl-1,(3e),(7e),11-tridecatetraene, tmtt |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C=C/C=C(/C)C, CC=C(C)C |
| Compound Name | (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene |
| Kingdom | Organic compounds |
| Exact Mass | 218.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 218.38 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/C=C)/C)/C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sesquiterpenoids |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1396928 - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643650