Isopropyl caprate
PubChem CID: 16833
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| Compound Synonyms | ISOPROPYL DECANOATE, 2311-59-3, Isopropyl caprate, n-Capric acid isopropyl ester, propan-2-yl decanoate, Decanoic Acid Isopropyl Ester, Decanoic acid, 1-methylethyl ester, isopropyl n-decanoate, Isopropyl dodecanoic acid, EINECS 219-001-4, AI3-33575, 01R0Y41050, DTXSID50177675, DECANOIC ACID, ISOPROPYL ESTER, N-CAPRICACIDISOPROPYLESTER, Isopropyl decanoate #, 1-Methylethyldecanoate, SCHEMBL332845, Isopropyl decanoate, AldrichCPR, CHEBI:88621, DTXCID10100166, CHEBI:180103, UNII-01R0Y41050, AKOS009159489, HY-W127422, LS-14255, CS-0185656, NS00021886, D89306, Q27160509, 219-001-4 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propan-2-yl decanoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C13H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKPPDYGHKDIKBH-UHFFFAOYSA-N |
| Fcsp3 | 0.9230769230769232 |
| Logs | -4.919 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.377 |
| Compound Name | Isopropyl caprate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7912637999999994 |
| Inchi | InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3 |
| Smiles | CCCCCCCCCC(=O)OC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients