1,2-Diethylbenzene
PubChem CID: 8657
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| Compound Synonyms | 1,2-DIETHYLBENZENE, 135-01-3, o-Diethylbenzene, Benzene, 1,2-diethyl-, Benzene, diethyl-, Benzene, o-diethyl-, 1,2-diethyl-benzene, HSDB 4081, UNII-25HOX6T1LU, EINECS 205-170-1, 25HOX6T1LU, ortho-Diethylbenzene, 1,2-DiethyIbenzene, BRN 1904392, UN2049, DTXSID6052742, o-Diethylbenzene, , 1,2-DIETHYLBENZENE [HSDB], 4-05-00-01065 (Beilstein Handbook Reference), Diethylbenzol, DSSTox_CID_7866, DSSTox_RID_78595, DSSTox_GSID_27866, CAS-25340-17-4, 1,2-diethyl benzene, MFCD00792900, oDiethylbenzene, diethyl benzene, Benzene, odiethyl, Benzene, 1,2-diethyl-, Benzene, o-diethyl- (8CI), 1,2-Diethylbenzene, o-Diethylbenzene, 3,4-diethylbenzene, EINECS 246-874-9, MFCD00009258, DIETHYLBENZENES, NSC 405068, Benzene, 1,2diethyl, BRN 1903396, AI3-15336, BIDD:ER0356, DTXCID507866, CHEMBL3186870, UNII-9A18Z78Q73, AAA13501, Tox21_202258, Tox21_303467, AKOS015888421, 9A18Z78Q73, NCGC00257453-01, NCGC00259807-01, 1,2-Diethylbenzene, >=99.0% (GC), LS-13808, 1,2-Diethylbenzene, technical grade, 92%, DB-042262, NS00001325, 1,2-Diethylbenzene 100 microg/mL in Methanol, Diethylbenzene [UN2049] [Flammable liquid], EC 246-874-9, EN300-112423, 4-05-00-01067 (Beilstein Handbook Reference), A806866, Q2429316 |
|---|---|
| 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 | CCcccccc6CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-diethylbenzene |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.7 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | KVNYFPKFSJIPBJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | o-diethyl benzene |
| Esol Class | Soluble |
| Compound Name | 1,2-Diethylbenzene |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3 |
| Smiles | CCC1=CC=CC=C1CC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676