Cyclobutanol
PubChem CID: 76218
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| Compound Synonyms | Cyclobutanol, 2919-23-5, Cyclobutyl alcohol, Cyclobutyl hydroxide, Hydroxycyclobutane, AD482C8GST, EINECS 220-858-1, MFCD00001318, DTXSID5062712, KTHXBEHDVMTNOH-UHFFFAOYSA-, Cyclobutanol, >=99%, UNII-AD482C8GST, CHEMBL449234, DTXCID4037950, BDBM36188, BBL102818, STL556626, AKOS005254853, CS-W013758, GS-3302, HY-W013042, SB83781, DB-016114, NS00028651, EN300-61113, Q9756613, F0001-2563, 220-858-1 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclobutanol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Is Pains | False |
| Molecular Formula | C4H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTHXBEHDVMTNOH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Cyclobutanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 72.0575 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 72.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 72.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5705634 |
| Inchi | InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2 |
| Smiles | C1CC(C1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Torilis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients