2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol
PubChem CID: 5316559
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C9H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLYCOEWFWUPHFZ-SSDOTTSWSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -0.525 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.111 |
| Compound Name | 2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 172.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.16261120000000007 |
| Inchi | InChI=1S/C9H16O3/c10-4-3-7-1-2-8(5-11)9(7)6-12/h7,10-12H,1-6H2/t7-/m1/s1 |
| Smiles | C1CC(=C([C@H]1CCO)CO)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elephantopus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients