2,7-Dimethyl-2,6-octadien-1-ol
PubChem CID: 5365825
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| Compound Synonyms | 2,7-Dimethyl-2,6-octadien-1-ol, 2,6-Octadien-1-ol, 2,7-dimethyl-, 2,7-Dimethylocta-2,6-dienol, JSMKSZJPQZMEHN-JXMROGBWSA-N, 2,7-Dimethyl-octa-2,6-dien-1-ol, NS00122650 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-2,7-dimethylocta-2,6-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JSMKSZJPQZMEHN-JXMROGBWSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.714 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.832 |
| Compound Name | 2,7-Dimethyl-2,6-octadien-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3593686 |
| Inchi | InChI=1S/C10H18O/c1-9(2)6-4-5-7-10(3)8-11/h6-7,11H,4-5,8H2,1-3H3/b10-7+ |
| Smiles | CC(=CCC/C=C(\C)/CO)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients