4a-Methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
PubChem CID: 584965
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| Compound Synonyms | 4a-Methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene, 13943-77-6, Naphthalene, 1,2,3,4,4a,5,6,7-octahydro-4a-methyl-, 4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalene, GCLZXEJWFDSXJZ-UHFFFAOYSA-N, DTXSID001337446, 1,2,3,4,4a,5,6,7-octa hydro-4a-methyl-naphthalene, 4a-Methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene # |
|---|---|
| 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 | C1CCC2CCCCC2C1 |
| Deep Smiles | CCCCCCC6=CCCC%10 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18 |
| Scaffold Graph Node Bond Level | C1=C2CCCCC2CCC1 |
| Inchi Key | GCLZXEJWFDSXJZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | naphthalene,1,2,3,4,4a,5,6,7-octahydro-4a-methyl- |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 4a-Methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h6H,2-5,7-9H2,1H3 |
| Smiles | CC12CCCCC1=CCCC2 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895183