Decylbenzene
PubChem CID: 7716
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| Compound Synonyms | 1-Phenyldecane, DECYLBENZENE, 104-72-3, n-Decylbenzene, Benzene, decyl-, Decane, 1-phenyl-, phenyldecane, n-decyl benzene, UNII-KIR29W0BP0, KIR29W0BP0, HSDB 920, DTXSID5051529, EINECS 203-230-1, NSC 74191, NSC-74191, 1-PHENYL-N-DECANE, N-DECYLBENZENE [HSDB], DTXCID6030079, Decane, phenyl-, nDecylbenzene, 1Phenyldecane, decyl-Benzene, Benzene, decyl, 1-phenyl-decan, Decane, 1phenyl, MFCD00008955, 1-Phenyldecane, 98%, NCIOpen2_004097, CHEBI:183288, 1-Phenyldecane, analytical standard, BCP25279, NSC74191, Tox21_303866, AKOS015840680, NCGC00357130-01, CAS-104-72-3, LS-14533, DB-019326, CS-0186362, D0034, NS00007793, D89583, Q27282268, 203-230-1 |
|---|---|
| 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 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCCCCCCCCcccccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 7.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H26 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | UZILCZKGXMQEQR-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | decylbenzene |
| Esol Class | Moderately soluble |
| Compound Name | Decylbenzene |
| Exact Mass | 218.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 218.38 |
| 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/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3 |
| Smiles | CCCCCCCCCCC1=CC=CC=C1 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712111