Iridodiol
PubChem CID: 101710
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Iridodiol, alpha-Iridodiol, 485-42-7, Cyclopentaneethanol, 2-(hydroxymethyl)-beta,3-dimethyl-, Cyclopentaneethanol, 2-(hydroxymethyl)-.beta.,3-dimethyl-, 2-[2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol, SCHEMBL11291498, DTXSID20964074, 2-[2-(Hydroxymethyl)-3-methylcyclopentyl]-1-propanol # |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Is Pains | False |
| Molecular Formula | C10H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MZPIHWYCJUPOFB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Iridodiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8566615999999998 |
| Inchi | InChI=1S/C10H20O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h7-12H,3-6H2,1-2H3 |
| Smiles | CC1CCC(C1CO)C(C)CO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Polygama (Plant) Rel Props:Source_db:cmaup_ingredients