6-Phenylundecane
PubChem CID: 20660
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| Compound Synonyms | 6-PHENYLUNDECANE, 4537-14-8, Benzene, (1-pentylhexyl)-, undecan-6-ylbenzene, Undecane, 6-phenyl-, (1-Pentylhexyl)benzene, alpha-pentylhexylbenzene, a-Pentylhexylbenzene, (Undecan-6-yl)benzene, (1-Pentylhexyl)benzene #, DTXSID5075446, CHEBI:77514, WCABIRIFXVXGQH-UHFFFAOYSA-N, NS00095912, Q27147095 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undecan-6-ylbenzene |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 7.4 |
| Superclass | Benzenoids |
| Molecular Formula | C17H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCABIRIFXVXGQH-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -1.193 |
| Rotatable Bond Count | 9.0 |
| Logd | 0.248 |
| Synonyms | (1-Pentylhexyl)benzene, alpha-Pentylhexylbenzene, a-Pentylhexylbenzene, Α-pentylhexylbenzene |
| Compound Name | 6-Phenylundecane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 232.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -5.641624670588235 |
| Inchi | InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3 |
| Smiles | CCCCCC(CCCCC)C1=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 Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all