cis-5-Dodecenoic acid
PubChem CID: 5312378
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| Compound Synonyms | cis-5-Dodecenoic acid, 2430-94-6, 5Z-dodecenoic acid, (Z)-dodec-5-enoic acid, Denticetic acid, Lauroleinic acid, (5Z)-dodec-5-enoic acid, CHEBI:86595, 5-Dodecenoic acid, EYE3WCF2SA, 5-Dodecenoic acid, (Z)-, DTXSID201314846, 5-DODECENOIC ACID, (5Z)-, LMFA01030226, (Z)-5-Dodecenoic acid, (5Z)?-5-?Dodecenoic acid, C12:1n-7, cis-5-Dodecenoate, (Z)-5-Dodecenoic acid, (5Z)-5-Dodecenoic acid, (Z)-Dodec-5-enoic acid, cis-5-Dodecenoic acid, MFCD00239341, (Z)-5-Dodecenoate, Cis-5-Dodecanoic Acid, bmse000565, cis-5-Dodecenoic acid, 99%, 445029_ALDRICH, SCHEMBL1142229, CHEMBL1169837, DTXCID701744769, HY-N8469, EX-A10789, AKOS040759346, MS-23076, DB-318935, G86817, Q27159277, 624-865-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCC/C=CCCCC=O)O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (Z)-dodec-5-enoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IJBFSOLHRKELLR-FPLPWBNLSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 9.0 |
| State | Solid |
| Synonyms | 5Z-Dodecenoate, cis-5-Dodecanoic acid, cis-5-Dodecanoate, 5-Dodecenoate, (Z)-5-Dodecenoate, (Z)-5-Dodecenoic acid, cis-5-Dodecenoate, cis-5-Dodecenoic acid, 5-Dodecenoic acid, (e)-isomer, (Z)-Dodec-5-enoic acid, (Z)-Dodec-5-enoate, 5-Dodecenoic acid, FA(12:1(5Z)), Lauroleinate, cis-5-dodecenoic acid |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | cis-5-Dodecenoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.4427971999999993 |
| Inchi | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7- |
| Smiles | CCCCCC/C=C\CCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all