2-(3,7-Dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diol
PubChem CID: 160109
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| Compound Synonyms | MFCD00869599, AKOS028109598, SY326620 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,7-dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diol |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 7.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C21H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXACEHWTBCFNSA-UHFFFAOYSA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -3.761 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.995 |
| Compound Name | 2-(3,7-Dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 316.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -6.075850478260868 |
| Inchi | InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3 |
| Smiles | CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aromatic monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Glochidion Eriocarpum (Plant) Rel Props:Source_db:cmaup_ingredients