2,6-Dimethyl-1,5,7-octatrien-3-ol
PubChem CID: 119847
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| Compound Synonyms | 2,6-Dimethyl-1,5,7-octatrien-3-ol, DTXSID10865460, SCHEMBL2458094, TYDDWHVJHGIJCW-UHFFFAOYSA-N, 6-methyl-2-methyleneocta-5,7-dien-3-ol, (E)-2,6-dimethyl-1,5,7-octatrien-3-ol, NS00049674 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylocta-1,5,7-trien-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | TYDDWHVJHGIJCW-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.33 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.795 |
| Compound Name | 2,6-Dimethyl-1,5,7-octatrien-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5484694 |
| Inchi | InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3 |
| Smiles | CC(=C)C(CC=C(C)C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients