2-Ethylhexyl acrylate
PubChem CID: 7636
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| Compound Synonyms | 2-ETHYLHEXYL ACRYLATE, 103-11-7, 2-ethylhexyl prop-2-enoate, 2-Ethylhexyl 2-propenoate, 2-Ethyl-1-hexyl acrylate, 2-ETHYLHEXYLACRYLATE, 2-Propenoic acid, 2-ethylhexyl ester, Acrylic acid, 2-ethylhexyl ester, 1-Hexanol, 2-ethyl-, acrylate, Mono(2-ethylhexyl) acrylate, NSC 4803, CCRIS 3430, HSDB 1121, 2EHA, ethylhexylacrylate, UNII-HR49R9S6XG, EINECS 203-080-7, HR49R9S6XG, BRN 1765828, DTXSID9025297, AI3-03833, 2-Ethylhexanol acrylate, JC BASE ACRYLATE, 2-Ethylhexylester kyseliny akrylove, NORSOCRYL 2-EHA, NSC-4803, DTXCID405297, CHEBI:82465, EC 203-080-7, 2-ethylexyl acrylate, 2EHA, EHA, JR 910, NSC 4803, Norsocryl 2-EHA, 2-ETHYLHEXYL ACRYLATE (IARC), 2-ETHYLHEXYL ACRYLATE [IARC], CAS-103-11-7, Octyl Acrylate Monomer, 2-Ethylhexyl Acrylate Resin, 2-Ethylhexylester kyseliny akrylove [Czech], acrylic acid 2-ethylhexyl ester, EINECS 215-330-2, MFCD00009495, 1-Hexanol, acrylate, 90530-31-7, 2-ethylhexyl propenoate, Acrylic Acid 2-Ethylhexyl Ester Monomer, 2-ethylhexyl-2-propenoate, SCHEMBL14869, 2-Ethylhexyl Acrylate Monomer, Acrylic acid-2-ethylhexyl ester, CHEMBL1574328, 2-Ethylhexyl acrylate (2-EHA), Acrylic Acid Octyl Ester Monomer, NSC4803, 2-Ethylhexyl ester of acrylic acid, Tox21_202053, Tox21_303227, WLN: 4Y2 & 1OV1U1, MFCD00084372, AKOS015894409, (+/-)-Acrylic acid 2-ethylhexyl ester, NCGC00091115-01, NCGC00091115-02, NCGC00091115-03, NCGC00256960-01, NCGC00259602-01, LS-14013, 2-Ethylhexyl acrylate, analytical standard, DB-030721, A0144, NS00007111, 2-Ethylhexyl Acrylate Monomer, stab. w/MEHQ, C19420, Q209383, 2-Ethylhexyl Acrylate Monomer (stabilized with MEHQ), 2-Ethylhexyl acrylate, 98%, contains >=0.001-<=0.11% monomethyl ether hydroquinone as stabilizer, 203-080-7, 93460-77-6 |
|---|---|
| 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 | CCCCCCOC=O)C=C)))))CC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Acrylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethylhexyl prop-2-enoate |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 3.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Acrylic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O2 |
| Inchi Key | GOXQRTZXKQZDDN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2-ETHYLHEXYL acrylic acid, Acrylic acid 2-ethylhexyl ester, 2-Ethylhexyl acrylate, 2-Ethylhexyl prop-2-enoic acid, 2-ethylhexyl acrylate |
| Esol Class | Soluble |
| Functional Groups | C=CC(=O)OC |
| Compound Name | 2-Ethylhexyl acrylate |
| Kingdom | Organic compounds |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3 |
| Smiles | CCCCC(CC)COC(=O)C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acrylic acid esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Polianthes Tuberosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1259590