Cyclobutane
PubChem CID: 9250
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| Compound Synonyms | CYCLOBUTANE, 287-23-0, Tetramethylene, UNII-5X619RB2CY, HSDB 58, 5X619RB2CY, EINECS 206-014-5, DTXSID2059772, CHEBI:30377, cyclobutyl, UN2601, Cyclobutane [UN2601] [Flammable gas], CYCLOBUTANE [MI], cyclobutane, tetramethylene, CYCLOBUTANE [HSDB], DTXCID6037853, DTXSID90196522, AKOS003632078, UN 2601, DB-307768, NS00021102, InChI=1/C4H8/c1-2-4-3-1/h1-4H, Q80232, 206-014-5, 7236-82-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC1 |
| Deep Smiles | CCCC4 |
| Heavy Atom Count | 4.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 8.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclobutane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8 |
| Scaffold Graph Node Bond Level | C1CCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMPVIKIVABFJJI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -2.068 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.645 |
| Synonyms | cyclobutane |
| Esol Class | Very soluble |
| Compound Name | Cyclobutane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 56.0626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 56.0626 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 56.11 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.7376696 |
| Inchi | InChI=1S/C4H8/c1-2-4-3-1/h1-4H2 |
| Smiles | C1CCC1 |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Heteropogon Contortus (Plant) Rel Props:Reference:ISBN:9788172362300