Hydroxylauric Acid
PubChem CID: 97783
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| Compound Synonyms | 2-Hydroxydodecanoic acid, 2984-55-6, 2-Hydroxylauric acid, hydroxylauric acid, 2-hydroxy lauric acid, Dodecanoic acid, 2-hydroxy-, Dodecanoic acid, hydroxy-, (+/-)-2-hydroxydodecanoic acid, alpha-Hydroxy lauric acid, 2-hydroxy-dodecanoic acid, 62H8XD5QSU, 2-OH-C12, EINECS 221-048-0, NSC-39025, DL-2-HYDROXYLAURIC ACID, ALPHA HYDROXY LAURIC ACID, CHEBI:36211, DTXSID501021252, DL-2-HYDROXYDODECANOIC ACID, NSC 39025, .ALPHA.-HYDROXYDODECANOIC ACID, 74355-65-0, (+/-)-.ALPHA.-HYDROXYLAURIC ACID, UNII-62H8XD5QSU, alpha-hydroxylauric acid, alpha-hydroxydodecanoic acid, DL-alpha-Hydroxylauric acid, Dodecanoic acid,2-hydroxy-, SCHEMBL154529, GTPL5849, CHEMBL4278254, DTXCID10836231, HYDROXYLAURIC ACID [INCI], CAA98455, NSC39025, LMFA01050036, MFCD00014341, AKOS015146113, (+/-)-ALPHA-HYDROXYLAURIC ACID, AS-86625, PD049886, HY-116731, CS-0066402, NS00013760, NS00076827, G62873, 2-Hydroxydodecanoic acid, >=98% (capillary GC), Q27071900, F1916-0236, (+/-)-alpha-Hydroxylauric Acid, 2-Hydroxylauric Acid, DL-2-Hydroxydodecanoic Acid, DL-2-Hydroxylauric Acid, alpha-Hydroxydodecanoic Acid, alpha-Hydroxylauric Acid, 221-048-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCCCCC=O)O))O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxydodecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O3 |
| Inchi Key | YDZIJQXINJLRLL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 2-Hydroxy-dodecanoic acid, 2-Hydroxylauric acid, alpha-Hydroxy lauric acid, alpha-Hydroxydodecanoic acid, 2-Hydroxy-dodecanoate, 2-Hydroxylaate, 2-Hydroxylaic acid, a-Hydroxy laate, a-Hydroxy laic acid, alpha-Hydroxy laate, alpha-Hydroxy laic acid, Α-hydroxy laate, Α-hydroxy laic acid, a-Hydroxydodecanoate, a-Hydroxydodecanoic acid, alpha-Hydroxydodecanoate, Α-hydroxydodecanoate, Α-hydroxydodecanoic acid, 2-Hydroxydodecanoate, hydroxylauric acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | Hydroxylauric Acid |
| Kingdom | Organic compounds |
| Exact Mass | 216.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 216.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15) |
| Smiles | CCCCCCCCCCC(C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Purpurea (Plant) Rel Props:Reference:ISBN:9780387706375