Benzene, 1-(1,5-dimethylhexyl)-4-methyl-
PubChem CID: 577053
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| Compound Synonyms | Benzene, 1-(1,5-dimethylhexyl)-4-methyl-, Dihydrocurcumene, Dihydro-ar-curcumene, 1-methyl-4-(6-methylheptan-2-yl)benzene, .alpha.-Curcumene, dihydro-, 1461-02-5, 2-methyl-6-p-toluyl-heptane, 4-(1,5-Dimethylhexyl)toluene, Heptane, 2-methyl-6-p-tolyl-, DTXSID00880728, GVCHCLNHTASCCP-UHFFFAOYSA-N, 1-methyl-4-(1,5-dimethylhexyl)benzene, 1-(1,5-Dimethylhexyl)-4-methylbenzene #, NS00095871 |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Bisabolane sesquiterpenoids |
| Deep Smiles | CCCCCCcccccc6))C)))))C)))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-(6-methylheptan-2-yl)benzene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | GVCHCLNHTASCCP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | dihydrocurcumene |
| Esol Class | Moderately soluble |
| Compound Name | Benzene, 1-(1,5-dimethylhexyl)-4-methyl- |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| 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/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8-12,14H,5-7H2,1-4H3 |
| Smiles | CC1=CC=C(C=C1)C(C)CCCC(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 Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730030104