(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
PubChem CID: 15382184
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| Compound Synonyms | (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol, 7-methyl-3-methylideneoctane-1,2,6,7-tetrol, CHEBI:172446, DTXSID601272599, LMFA05000554, 217449-59-7, 7-Methyl-3-methylene-1,2,6,7-octanetetrol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Description | Constituent of Foeniculum vulgare (fennel). (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 189.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methyl-3-methylideneoctane-1,2,6,7-tetrol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | -0.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C10H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GGDOZDCNLKHEMH-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 6.0 |
| Substituent Name | Fatty alcohol, Tertiary alcohol, Secondary alcohol, Polyol, 1,2-diol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Compound Name | (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 204.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5403492 |
| Inchi | InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3 |
| Smiles | CC(C)(C(CCC(=C)C(CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients