Dodecylbenzene
PubChem CID: 31237
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| Compound Synonyms | DODECYLBENZENE, 123-01-3, 1-Phenyldodecane, Benzene, dodecyl-, n-Dodecylbenzene, Phenyldodecane, 25265-78-5, Laurylbenzene, Dodecane, phenyl-, Marlican, Dodecane, 1-phenyl-, Phenyldodecan, Dodecylbenzene, crude, 1-dodecylbenzene, 29986-57-0, Phenyldodecan [German], CCRIS 2291, HSDB 937, NSC 102805, EINECS 204-591-8, MFCD00008974, BRN 1909107, DTXSID7026994, UNII-A2AX003680, AI3-00435, NSC-4584, A2AX003680, NSC-102805, DTXCID706994, 4-05-00-01200 (Beilstein Handbook Reference), PHENYLDODECAN (GERMAN), WLN: 12R, 1-Dodecylbenzene, 1-Phenyl-n-dodecane, 1-Phenyldodecane, CAS-123-01-3, 1-Phenyldodecane, Laurylbenzene, n-Dodecylbenzene, nDodecylbenzene, dodecyl-benzene, phenyl-dodecane, 1Phenyldodecane, Benzene, dodecyl, Dodecane,phenyl-, Dodecane, 1phenyl, EINECS 270-486-9, 1-Phenyldodecane, 97%, 1-PHENYL-N-DODECANE, Dodecane, 1-phenyl-(8CI), BENZENE,TETRAPROPYLENE-, DETERGENT ALKYLATE NO 2, CHEMBL3187866, NSC4584, BCP26389, Tox21_201344, Tox21_303061, NSC102805, 1-Phenyldodecane, analytical standard, AKOS009031474, NCGC00164039-01, NCGC00164039-02, NCGC00256949-01, NCGC00258896-01, MS-20701, DB-041701, DB-244737, CS-0016030, D0988, D1074, NS00019424, Dodecylbenzene, hard type, mixture of isomers, A11965, Q414469, 204-591-8 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecylbenzene |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 8.8 |
| Superclass | Benzenoids |
| Molecular Formula | C18H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWKXNDCHNDYVRT-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.934 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.756 |
| Compound Name | Dodecylbenzene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 246.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -6.338082266666667 |
| Inchi | InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3 |
| Smiles | CCCCCCCCCCCCC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients