2,6-Dimethylocta-1,5,7-trien-3-ol
PubChem CID: 5362854
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| Compound Synonyms | 2,6-Dimethylocta-1,5,7-trien-3-ol, 28977-58-4, Ocimenol, (E)-, 29414-56-0, 1,5,7-Octatrien-3-ol, 2,6-dimethyl-, (5E)-, (E)-2,6-Dimethylocta-1,5,7-trien-3-ol, RD4TJJ74P3, (E)-OCIMENOL, EINECS 249-346-6, EINECS 249-613-7, 2,6-Dimethyl-1,5,7-octatrienol-3, 1,5,7-Octatrien-3-ol, 2,6-dimethyl-, (E)-, 1,5,7-Octatrien-3-ol, 2,6-dimethyl-, (5E)-2,6-dimethylocta-1,5,7-trien-3-ol, DTXSID30885443, 5,7-Octadien-2-ol,2,6-dimethyl, DTXSID10865460, UNII-RD4TJJ74P3, SCHEMBL17627633, DTXCID70813866, DTXCID601024823, AKOS006272750, NS00084589, (5E)-2,6-dimethyl-octa-1,5,7-trien-3-ol, (5E)-2,6-Dimethyl-1,5,7-octatrien-3-ol #, 249-346-6, 249-613-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=C/C=C/CCC=C)C))O))))/C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E)-2,6-dimethylocta-1,5,7-trien-3-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | TYDDWHVJHGIJCW-RMKNXTFCSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -1.483 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.517 |
| Synonyms | (e)-2,6-dimethylocta-1,5,7-trien-3-ol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, C=C/C(C)=C/C, CO |
| Compound Name | 2,6-Dimethylocta-1,5,7-trien-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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| 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/b9-6+ |
| Smiles | CC(=C)C(C/C=C(\C)/C=C)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643827