Tridecylbenzene
PubChem CID: 31238
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| Compound Synonyms | TRIDECYLBENZENE, 123-02-4, n-Tridecylbenzene, 1-Phenyltridecane, Benzene, tridecyl-, Tridane, Tridecane, 1-phenyl-, DTXSID7040784, HSDB 5173, E6K14656YO, EINECS 204-592-3, MFCD00008980, TRIDECYLBENZENE [MI], DTXCID008786, Phenyltridecane, 53570-71-1, Tridecane, phenyl-, UNII-E6K14656YO, 1Phenyltridecane, Benzene, tridecyl, Tridecane, 1phenyl, EINECS 272-008-4, CP 98576, 1-Phenyltridecane, 99%, DETERGENT ALKYLATE NO 5, Tox21_303706, 1-Phenyltridecane, analytical standard, AKOS015912427, NCGC00164040-01, NCGC00356959-01, 29463-64-7, CAS-123-02-4, DB-041703, A 215, A-215, CS-0338475, NS00020966, T0419, D92340, Q27276944, 204-592-3 |
|---|---|
| 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 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCCCCCCCCCCCcccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridecylbenzene |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 9.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H32 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | MCVUKOYZUCWLQQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 1-phenyltridecane |
| Esol Class | Poorly soluble |
| Compound Name | Tridecylbenzene |
| Exact Mass | 260.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 260.5 |
| 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/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3 |
| Smiles | CCCCCCCCCCCCCC1=CC=CC=C1 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943