10-Hydroxydecanoic Acid
PubChem CID: 74300
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| Compound Synonyms | 10-Hydroxydecanoic acid, 1679-53-4, 10-hydroxycapric acid, 10-Hydroxydecanoate, Decanoic acid, 10-hydroxy-, NSC 15139, 10-hydroxy-decanoic acid, UNII-NP03XO416B, MFCD00010510, TEENACTINE, NP03XO416B, 10-hydroxy capric acid, EINECS 216-848-1, NSC-15139, CHEBI:17409, DTXSID10168428, 10-HydroxydecanoicAcid, 27925-00-4, E-10-Hydroxy-2-decylennic Acid, NSC 15139, 10-OH-Decanoate, 10-Hydroxy caprate, 10-OH-Caprate, 10-OH-capric acid, 10-OH-decanoic acid, 10HDA CPD, 10-HDAA CPD, SCHEMBL126592, 10-Hydroxydecanoic Acid 98%, CHEMBL4519263, DTXCID5090919, BAA67953, BCP21629, CS-D1134, HY-Y0148, NSC15139, LMFA01050033, NSC159288, s5370, AKOS015856518, CCG-266486, DS-3877, NSC-159288, 10-HYDROXYDECANOIC ACID [INCI], 10-Hydroxydecanoic acid (NSC 15139), 10-Hydroxydecanoic acid, technical grade, SY018296, DB-043725, NS00014774, C02774, EN300-223806, 10-Hydroxydecanoate, Decanoic acid, 10-hydroxy-, Q18343392, Z1255434772, 216-848-1 |
|---|---|
| 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 | OCCCCCCCCCC=O)O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Hydroxy acids and derivatives |
| Classyfire Subclass | Medium-chain hydroxy acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-hydroxydecanoic acid |
| Class | Hydroxy acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 2.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Medium-chain hydroxy acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O3 |
| Inchi Key | YJCJVMMDTBEITC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 10-Hydroxydecanoate, 10-Hydroxydecanoic acid, 10-OH-Capric acid, 10-OH-Decanoic acid, 10-OH-Caprate, 10-OH-Decanoate, 10-Hydroxycaprate, 10-HDAA CPD, 10HDA CPD, 10-Hydroxy caprate, 10-hydroxydecanoic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 10-Hydroxydecanoic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) |
| Smiles | C(CCCCC(=O)O)CCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain hydroxy acids and derivatives |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279