5-Ethylidene-1-methyl-cycloheptene
PubChem CID: 6433644
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| Compound Synonyms | 15402-94-5, (5Z)-5-ethylidene-1-methylcycloheptene, (5Z)-5-ETHYLIDENE-1-METHYL-CYCLOHEPTENE, 5-ETHYLIDENE-1-METHYL-CYCLOHEPTENE |
|---|---|
| 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 | CC1CCCCCC1 |
| Deep Smiles | C/C=C/CCC=CCC/7))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | CC1CCCCCC1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-5-ethylidene-1-methylcycloheptene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C=C1CCC=CCC1 |
| Inchi Key | HQVYRYNHRRUKSO-KMKOMSMNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5-ethylidene-1-methyl-cycloheptene |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C, CC=C(C)C |
| Compound Name | 5-Ethylidene-1-methyl-cycloheptene |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16/c1-3-10-6-4-5-9(2)7-8-10/h3,5H,4,6-8H2,1-2H3/b10-3- |
| Smiles | C/C=C\1/CCC=C(CC1)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Articulatus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813288 - 2. Outgoing r'ship
FOUND_INto/from Cyperus Esculentus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813288