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
4.1916 1.1848 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7959 0.9327 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9385 0.2522 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5547 0.0519 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3717 -0.6250 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7296 -0.7971 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 0.4675 0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5192 0.5336 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1271 -0.5354 0.8983 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0826 1.8366 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4122 2.9374 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 -1.9718 -1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3186 -2.9038 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9396 0.6584 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4309 2.2666 0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3931 0.8536 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8311 0.2737 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3006 1.8850 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3472 -0.7305 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 0.8839 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5993 -0.5546 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1515 1.0590 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4541 0.0023 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4304 -1.3394 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6757 -1.3806 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0563 1.8434 1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4392 2.8882 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8431 3.8866 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5941 -2.4544 -1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0873 -1.9126 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0623 -2.4871 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6507 -3.1089 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7052 -3.8963 -0.4891 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