1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID: 30755
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| Compound Synonyms | 21693-51-6, 1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene, 1,5,8-TRIMETHYLTETRALINE, 9IUN61E4YV, 1,5,8-Trimethyltetralin, (+/-)-, Naphthalene, 1,2,3,4-tetrahydro-1,5,8-trimethyl-, 1,5,8-TRIMETHYLTETRALIN, UNII-9IUN61E4YV, DTXSID00944298, OIIJXQMSEYQDDI-UHFFFAOYSA-N, AKOS006273625, (+/-)-1,5,8-TRIMETHYLTETRALIN, 1,2,3,4-Tetrahydro-1,5,8-trimethyl-naphthalene, 1,2,3,4-TETRAHYDRO-1,5,8-TRIMETHYLNAPHTHALENE, NAPHTHALENE, 1,2,3,4-TETRAHYDRO-4,5,8-TRIMETHYL- |
|---|---|
| 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 | CCCCCcc6cC)ccc6C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Tetralins |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H18 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCCC2 |
| Inchi Key | OIIJXQMSEYQDDI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2,3,4-tetrahydro-1,5,8-trimethylnaphthalene |
| Esol Class | Moderately soluble |
| Compound Name | 1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene |
| Exact Mass | 174.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 174.28 |
| 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/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3 |
| Smiles | CC1CCCC2=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 Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698710