CID 53628256
PubChem CID: 53628256
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| Ghose Rule | False |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | [CH2-]C[C-]=C[CH2+])[CH2+] |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 47.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpent-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8 |
| Inchi Key | RRSCOATZGKEZKA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4-methyl-3-penten-1-yl |
| Esol Class | Very soluble |
| Functional Groups | [CH2+]C([CH2+])=[C-]C |
| Compound Name | CID 53628256 |
| Exact Mass | 80.0626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 80.0626 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 80.13 |
| 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 |
| Inchi | InChI=1S/C6H8/c1-4-5-6(2)3/h1-4H2 |
| Smiles | [CH2-]C[C-]=C([CH2+])[CH2+] |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1505556