(Z)-9-Octadecenenitrile
PubChem CID: 6420241
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| Compound Synonyms | Oleonitrile, 112-91-4, (Z)-octadec-9-enenitrile, Oleoylnitrile, Oleic acid nitrile, Oleic nitrile, 9-Octadecenenitrile, (9Z)-, Oleylonitrile, Oleyl nitrile, (Z)-9-OCTADECENENITRILE, 9-Octadecenenitrile, (Z)-, Olsaeurenitril, Olsaeurenitril [German], (9Z)-octadec-9-enenitrile, Oleanitrile, HSDB 5580, EINECS 204-016-0, BRN 1102081, 9-Octadecenoic acid (cis), nitrile (cis), cis-9-octadecenenitrile, 59F4912BUE, DTXSID3026934, CHEBI:133637, EC 204-016-0, 4-02-00-01668 (Beilstein Handbook Reference), (Z)-9-OCTADECENENITRILE [HSDB], olenitrile, UNII-59F4912BUE, (Z)9Octadecenenitrile, cis-octadec-9-enenitrile, 9Octadecenenitrile, (Z), DTXCID906934, SCHEMBL1958159, 9Octadecenoic acid (cis), nitrile (cis), DB-255881, NS00009749, 9-Octadecenenitrile (1mg/mL in Acetonitrile), 9-OCTADECENOIC ACID(CIS), NITRILE(CIS), Q27261698, 204-016-0 |
|---|---|
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-octadec-9-enenitrile |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Is Pains | False |
| Molecular Formula | C18H33N |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIAMCVSNZQYIQS-KTKRTIGZSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 14.0 |
| Compound Name | (Z)-9-Octadecenenitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.261 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 263.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 263.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.482407799999999 |
| Inchi | InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC#N |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients