(2-Methylprop-1-enyl)-cyclohexa-1,3-diene
PubChem CID: 523863
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| Compound Synonyms | (2-Methylprop-1-enyl)-cyclohexa-1,3-diene, 2-(2-methyl-1-propenyl)-1,5-cyclohexadiene, 1,5-Cyclohexadiene, 2-(2-methyl-1-propenyl) |
|---|---|
| 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 | C1CCCCC1 |
| Deep Smiles | CC=CC=CC=CCC6)))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-methylprop-1-enyl)cyclohexa-1,3-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | C1=CCCC=C1 |
| Inchi Key | UNCYNOVPSNFAMD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-(2-methyl-1-propenyl)-1,5-cyclohexadiene |
| Esol Class | Soluble |
| Functional Groups | CC(C)=CC1=CC=CCC1 |
| Compound Name | (2-Methylprop-1-enyl)-cyclohexa-1,3-diene |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| 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/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-4,6,8H,5,7H2,1-2H3 |
| Smiles | CC(=CC1=CC=CCC1)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Meroterpenoids |
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