1,4-Diethylbenzene
PubChem CID: 7734
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,4-DIETHYLBENZENE, 105-05-5, p-Diethylbenzene, Benzene, 1,4-diethyl-, p-Ethylethylbenzene, Benzene, p-diethyl-, para-Diethylbenzene, HSDB 4083, EINECS 203-265-2, UNII-0PSM16X42D, 0PSM16X42D, DTXSID4026711, DIETHYLBENZENE, P-, DIETHYLBENZENE, 1,4-, DTXCID706711, CHEBI:34062, EC 203-265-2, 1,4-DIETHYLBENZENE [HSDB], 1,4-diethyl-benzene, pDiethylbenzene, pEthylethylbenzene, Benzene, pdiethyl, Benzene, 1,4-diethyl-, Benzene, p-diethyl- (8CI), p-Xylene, a,a'-dimethyl- (7CI), 1,4-Diethylbenzene, p-Diethylbenzene, p-Ethylethylbenzene, MFCD00009264, Benzene, 1,4diethyl, 1,4-Diethylbenzene, 96%, BIDD:ER0274, CHEMBL3187283, p-Diethylbenzene 1,4-Diethylbenzene, Tox21_200146, AKOS009031101, FD34260, 1,4-Diethylbenzene, analytical standard, NCGC00248539-01, NCGC00257700-01, AS-13583, CAS-105-05-5, D0479, NS00008246, EN300-21456, 1,4-Diethylbenzene 100 microg/mL in Methanol, D88164, Q27115785, 203-265-2 |
|---|---|
| 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 | CCcccccc6))CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-diethylbenzene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSNHSQKRULAAEI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -4.327 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.012 |
| Synonyms | 1,4-diethylbenzene, p-diethyl benzene, p-diethylbenzene |
| Esol Class | Soluble |
| Compound Name | 1,4-Diethylbenzene |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -3.8695763999999997 |
| Inchi | InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3 |
| Smiles | CCC1=CC=C(C=C1)CC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676 - 6. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477 - 8. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700063