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
-2.9677 2.0896 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8151 0.7101 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7176 -0.3514 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6839 -0.3443 -0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2252 -0.4788 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2937 0.6024 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6935 0.5825 0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6602 0.7109 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2555 0.8518 -1.7331 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0824 0.6901 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5914 0.5454 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 -1.8865 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3814 -2.1471 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 2.0498 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7710 2.6341 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0497 2.7245 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1083 0.7384 1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8778 0.5296 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7303 -0.3019 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8023 -1.3445 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9563 -1.0425 -1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7774 0.6723 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2909 -0.5591 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0884 1.5929 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1231 0.3989 1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7528 0.7984 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6626 0.5384 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9975 0.4327 1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6298 -1.9674 0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3699 -2.6344 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5228 -3.2351 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7658 -1.5612 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0524 -2.0384 -0.6442 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