1,2-Dihydro-1,5,8-trimethylnaphthalene
PubChem CID: 20595
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| Compound Synonyms | 1,5,8-Trimethyl-1,2-dihydronaphthalene, 4506-36-9, 1,2-DIHYDRO-1,5,8-TRIMETHYLNAPHTHALENE, 1,4,5-TRIMETHYL-5,6-DIHYDRONAPHTHALENE, Naphthalene, 1,2-dihydro-1,5,8-trimethyl-, Y6D44B0088, UNII-Y6D44B0088, 1,5,8-Trimethyl-1,2-dihydronaphthalene # |
|---|---|
| Ghose Rule | True |
| 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 |
| Np Classifier Class | Cadinane sesquiterpenoids |
| Deep Smiles | CCCC=Ccc6cC)ccc6C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,8-trimethyl-1,2-dihydronaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H16 |
| Scaffold Graph Node Bond Level | C1=Cc2ccccc2CC1 |
| Inchi Key | YJFOZRTWRVNHOG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2-dihydro-1,5,8-trimethyl-naphthalene, naphthalene, 1,2-dihydro-1,5,8- trimethyl- |
| Esol Class | Soluble |
| Functional Groups | cC=CC |
| Compound Name | 1,2-Dihydro-1,5,8-trimethylnaphthalene |
| Exact Mass | 172.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 172.27 |
| 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/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3 |
| Smiles | CC1CC=CC2=C(C=CC(=C12)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3385 - 2. Outgoing r'ship
FOUND_INto/from Marsilea Quadrifolia (Plant) Rel Props:Reference:ISBN:9770972795006