cis-2-Octadecenoic acid
PubChem CID: 5282749
Connections displayed (default: 10).
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| Compound Synonyms | cis-2-octadecenoic acid, (Z)-octadec-2-enoic acid, Octadecenoic acid, (Z)-, (Z)-Octadecenoic acid, cis-octadec-2-enoic acid, 27104-13-8, 2-Octadecenoic acid, 2Z-octadecenoic acid, C18:1n-16, NSC931, Octadec-2c-ensaeure, cis-octadecenoic acid, octadec-2c-enoic acid, OCTADECAN-2-OIC ACID, 2-HYDROXY, (Z)-2-octadecenoic acid, cis-Octadecen-(2)-saeure, Octadec-cis-2-encarbonsaeure, (2Z)-octadec-2-enoic acid, 5340-63-6, cis-Delta(2)-Octadecensaeure, SCHEMBL820290, cis-Delta(2)-octadecenoic acid, C18:1, n-16, cis, CHEBI:50575, NSC-931, LKOVPWSSZFDYPG-MSUUIHNZSA-N, LMFA01030061, octadec-cis-2-ene-1-carboxylic acid, AS-86576, CS-0356441, Q27122124, 2825-66-3 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-octadec-2-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 8.1 |
| Molecular Formula | C18H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKOVPWSSZFDYPG-MSUUIHNZSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.894 |
| Rotatable Bond Count | 15.0 |
| Logd | 2.51 |
| Compound Name | cis-2-Octadecenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.6980015999999996 |
| Inchi | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16- |
| Smiles | CCCCCCCCCCCCCCC/C=C\C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Complanatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients