Durene
PubChem CID: 7269
Connections displayed (default: 10).
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| Compound Synonyms | 1,2,4,5-TETRAMETHYLBENZENE, Durene, 95-93-2, Durol, Benzene, 1,2,4,5-tetramethyl-, p-Xylene, 2,5-dimethyl-, NSC 6770, EINECS 202-465-7, CCRIS 8660, DTXSID1029124, CHEBI:38978, AI3-25182, 181426CFYB, 2,5-dimethyl-p-xylene, NSC-6770, DURENE [MI], 1,2,4,5-tetramethyl-benzene, DTXCID309124, CAS-95-93-2, Duren, UNII-181426CFYB, 1,2,4,5-Tetramethylbenzene, p-Xylene, 2,5-dimethyl- (7CI), 1,2,4,5-Tetramethylbenzene, Durene, Durol, NSC 6770, MFCD00008528, pXylene, 2,5dimethyl, NCIMech_000514, BIDD:ER0685, Benzene, 1,2,4,5tetramethyl, pXylene, 2,5dimethyl (7CI), (2,4,5-trimethylphenyl)methyl, CHEMBL1797134, benzene,1,2,4,5-tetramethyl-, NSC6770, WLN: 1R B1 D1 E1, DTXSID901307890, p-Xylene, 2,5-dimethyl-(7CI), Tox21_201920, Tox21_303511, 1,2,4,5-TETRAMETHLYBENZENE, STL268879, 1,2,4,5-Tetramethylbenzene, 98%, AKOS000119934, FT00689, NCGC00249135-01, NCGC00257264-01, NCGC00259469-01, LS-13806, DB-038211, NS00078869, T0140, T0714, 1,2,4,5-TETRAMETHYLBENZENE (DURENE), EN300-19396, G77316, Q907919, 1,2,4,5-Tetramethylbenzene 10 microg/mL in Cyclohexane, F0001-2285, Z104473710, 1,2,4,5-Tetramethylbenzene, Standard for quantitative NMR, TraceCERT(R), 15220-27-6, 202-465-7 |
|---|---|
| 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 | C1CCCCC1 |
| Deep Smiles | CcccC)ccc6C)))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Flavouring compound [Flavornet] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.6 |
| Database Name | fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4,5-tetramethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | SQNZJJAZBFDUTD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | durene |
| Esol Class | Soluble |
| Compound Name | Durene |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3 |
| Smiles | CC1=CC(=C(C=C1C)C)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Crithmum Maritimum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090605 - 2. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1404497