Monomers
2-Ethylhexyl acrylate
Identifiers
IUPAC name
2-ethylhexyl prop-2-enoate
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
InchI Key
GOXQRTZXKQZDDN-UHFFFAOYSA-N
SMILES
CCCCC(COC(=O)C=C)CC
Canonical SMILES
CCCCC(CC)COC(=O)C=C
Isomeric SMILES
CCCCC(CC)COC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
2.932
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
33 32 0 0 0 0 0 0 0 0999 V2000
-3.8505 -0.0385 1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5038 0.5576 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9078 0.0086 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5701 0.6415 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2180 0.2768 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5294 1.0043 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4331 0.8606 -0.2573 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1647 -0.1914 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0408 -1.2700 -0.3938 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0942 -0.0908 1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2430 1.0521 1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2186 -1.1259 -1.6771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1112 -1.6643 -2.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3224 0.5495 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7876 -1.0983 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4645 -0.0158 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5964 1.6361 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8135 0.3253 2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6284 0.2832 -0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8866 -1.0665 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7659 1.7631 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0394 0.4579 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3778 0.8202 -2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2496 2.1094 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9307 0.8361 -2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6328 -0.9807 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6745 1.9100 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9306 1.0792 2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5348 -1.7995 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9248 -1.2386 -2.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8520 -0.9134 -2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4858 -2.4323 -1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9348 -2.2456 -3.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 2 3
5 12 1 0
12 13 1 0
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
3 19 1 0
3 20 1 0
4 21 1 0
4 22 1 0
5 23 1 0
6 24 1 0
6 25 1 0
10 26 1 0
11 27 1 0
11 28 1 0
12 29 1 0
12 30 1 0
13 31 1 0
13 32 1 0
13 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers