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
-3.5351 0.6296 -0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 0.7952 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 1.4074 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 0.6178 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -0.7621 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3405 -0.7471 1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5903 -0.0679 1.1135 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 0.1253 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0279 -0.3328 3.3058 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7038 0.8204 2.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0944 1.2897 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6010 -1.5978 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0409 -1.7839 -2.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3357 -0.4014 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6156 0.7372 -0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2419 1.3491 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3760 1.5058 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7595 -0.1716 0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5239 2.4615 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9683 1.5026 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7801 0.6306 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4933 1.1409 -0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 -1.3337 -0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2691 -0.2193 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4814 -1.7881 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3066 0.9382 2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0300 1.8101 0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4714 1.1582 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6071 -1.1525 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6784 -2.6013 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8957 -2.4103 -2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1160 -0.8590 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7729 -2.4032 -2.9947 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