1-(hydroxymethyl)-ferrocene | SBID = 382 | Compound |
Structure
Molecular Properties
| Interactions: | 26 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C11H12FeO | ||
| M / g/mol: | 216.061 | ||
| Complexity: | 57.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: metallocene, typical guest
- Name: 1-(hydroxymethyl)-ferrocene
- Preferred Abbreviation: 1-(hydroxymethyl)-ferrocene
- IUPAC Name: cyclopentane;cyclopentylmethanol;iron
- CAS:
- CID: 10856885
- InChiKey: QETISSZVCNFQBN-UHFFFAOYSA-N
- InChi: InChI=1S/C6H7O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4,7H,5H2;1-5H;
- CanoSmiles: [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CO.[Fe]
- IsoSmiles: [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CO.[Fe]
