Octyl acrylate
PubChem CID: 17258
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| Compound Synonyms | Octyl acrylate, n-Octyl acrylate, 2499-59-4, 2-Propenoic acid, octyl ester, octyl prop-2-enoate, Acrylic acid, octyl ester, ENT 3827, n-octylacrylate, 1-octyl acrylate, UNII-EJN94319DN, EJN94319DN, n-Octyl Acrylate (stabilized with MEHQ), DTXSID8044624, NSC 5177, NSC-5177, EINECS 219-696-4, OCTYL 2-PROPENOATE, AI3-03827, DTXCID6024624, Octylacrylate, 1-Octyl acrylate, ENT 3827, NOAA, NSC 5177, Octyl 2-Propenoate, Octyl Acrylate, 2-hexylethylacrylate, MFCD00048935, Octyl acrylate, AldrichCPR, Acrylic Acid n-Octyl Ester, SCHEMBL14904, NSC5177, Acrylic acid, octyl ester (8CI), Tox21_302528, BBL100370, STL554164, AKOS006228618, NCGC00256817-01, AS-10368, CAS-2499-59-4, DB-046598, NS00019965, O0478, n-Octyl Acrylate, >/=98%,stabilized with MEHQ, Q27891525, 219-696-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCOC=O)C=C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octyl prop-2-enoate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O2 |
| Inchi Key | ANISOHQJBAQUQP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | octyl acrylate |
| Esol Class | Soluble |
| Functional Groups | C=CC(=O)OC |
| Compound Name | Octyl acrylate |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3 |
| Smiles | CCCCCCCCOC(=O)C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Mandragora Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700991