(Cyclobut-2-en-1-yl)methanol
PubChem CID: 13815416
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| Compound Synonyms | (Cyclobut-2-en-1-yl)methanol, 15963-49-2, DTXSID00550393, EN300-338479 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclobut-2-en-1-ylmethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C5H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIKTXMYNZIOFEM-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | 0.173 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.741 |
| Compound Name | (Cyclobut-2-en-1-yl)methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 84.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 84.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6042315999999999 |
| Inchi | InChI=1S/C5H8O/c6-4-5-2-1-3-5/h1-2,5-6H,3-4H2 |
| Smiles | C1C=CC1CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients