(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
PubChem CID: 15885844
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | OC[C@H]/C=C/C[C@@H]CO)C)C))O))))/C))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O4 |
| Inchi Key | QJGNMNVVLILWRD-CNTVWIKJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 6 monoterpenoid glycosides 3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C(C)C, CO |
| Compound Name | (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol |
| Exact Mass | 204.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h4,8-9,11-14H,5-6H2,1-3H3/b7-4+/t8-,9+/m1/s1 |
| Smiles | C/C(=C\C[C@@H](C(C)(C)O)O)/[C@@H](CO)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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