3,7-Dimethyl-1,5,7-octatrien-3-OL, (3R,5E)-
PubChem CID: 40510009
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| Compound Synonyms | 20053-88-7, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, (3R,5E)-, (3R,5E)-3,7-dimethylocta-1,5,7-trien-3-ol, (-)-TRANS-HOTRIENOL, TRANS-(-)-HOTRIENOL, 3,7-Dimethyl-1,5(E),7-octatrien-3-ol, FEMA NO. 3830, HOTRIENOL, TRANS-(-)-, (3R,5E)-3,7-dimethyl-1,5,7-octatrien-3-ol, V6J1653W94, (E,R)-3,7-DIMETHYL-1,5,7-OCTATRIEN-3-OL, 3,7-DIMETHYL-1,5,7-OCTATRIEN-3-OL, (3R,5E)-, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, (E)-(R)-(-)-, 1,5,7-OCTATRIEN-3-OL, 3,7-DIMETHYL-, (R-(E))-, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, [R-(E)]-, UNII-V6J1653W94, (E)-HOTRIENOL, SCHEMBL18338896, SCHEMBL18338897, CHEBI:188364, DTXSID601036113, HY-N9050, CS-0149604, Q27291596 |
|---|---|
| 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/C=C/C=C)C)))))O)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R,5E)-3,7-dimethylocta-1,5,7-trien-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Inchi Key | ZJIQIJIQBTVTDY-FGEFZZPRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1,5,7-octatrien-3-ol, 3,7-dimethyl-, 1,5,7-octatrien-3-ol,3,7-dimethyl-, ho-trienol, hotrienol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)/C=C/C, C=CC, CO |
| Compound Name | 3,7-Dimethyl-1,5,7-octatrien-3-OL, (3R,5E)- |
| 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 |
| Inchi | InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+/t10-/m0/s1 |
| Smiles | CC(=C)/C=C/C[C@](C)(C=C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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