3,7,11-Trimethyl-1,3,6,10-dodecatetraene
PubChem CID: 442368
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| Compound Synonyms | 25037-13-0, (E,Z)-alpha-Farnesene, 125037-13-0, DTXSID1047235, 2,6,10-Trimethyl-2,6,9,11-dodecatetraene, 3,7,11-trimethyldodeca-1,3,6,10-tetraene, 3,7,11-Trimethyl-1,3,6,10-dodecatetraene, DTXCID9027235, 97885-54-6, NS00079959, 2,6,10-trimethyl 2,6,9,11-dodecatetraene, Q27119779 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,11-trimethyldodeca-1,3,6,10-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CXENHBSYCFFKJS-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.434 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.52 |
| Compound Name | 3,7,11-Trimethyl-1,3,6,10-dodecatetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.5666134 |
| Inchi | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3 |
| Smiles | CC(=CCCC(=CCC=C(C)C=C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients