1,3,5-Triethylbenzene
PubChem CID: 7602
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| Compound Synonyms | 1,3,5-TRIETHYLBENZENE, 102-25-0, Benzene, 1,3,5-triethyl-, UNII-02K328WWZQ, 02K328WWZQ, EINECS 203-017-3, MFCD00009261, 1,3,5-Triethyl benzene, NSC 406584, NSC-406584, AI3-04219, WJYMPXJVHNDZHD-UHFFFAOYSA-, DTXSID30881228, NSC406584, 1,5-Triethylbenzene, Benzene,3,5-triethyl-, 1,3,5-triethyl-benzene, DTXCID907867, 1,3,5-Triethylbenzene, >=97%, AAA10225, STL414475, AKOS009031476, CS-15818, SY008991, CS-0046776, NS00041148, T0426, T0868, T2352, EN300-20057, 1,3,5-Triethylbenzene, technical grade, 90%, D72873, Q27231532, Z104476614, Benzene, 1,3,5-triethyl-, 1,3,5-Triethylbenzene, NSC 406584, 203-017-3 |
|---|---|
| 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 |
| Deep Smiles | CCcccCC))ccc6)CC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-triethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WJYMPXJVHNDZHD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,3,5-tri ethyl benzene |
| Esol Class | Soluble |
| Compound Name | 1,3,5-Triethylbenzene |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| 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/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3 |
| Smiles | CCC1=CC(=CC(=C1)CC)CC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676