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
-2.5548 2.6711 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3575 1.7026 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6458 0.5760 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6458 -0.4523 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1372 -1.3697 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5408 -0.7617 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6304 0.0335 0.3452 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4569 0.7292 1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2584 0.6726 2.4247 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5461 1.5165 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7496 1.5701 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1778 -2.3355 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4690 -3.2083 1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4782 2.1064 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 3.3639 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 3.2084 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1894 1.3592 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 2.2998 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8202 1.0896 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6851 0.1959 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9791 -1.1158 -2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2498 0.0718 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6454 -2.0790 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1196 -1.6243 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0980 -0.3145 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1849 2.0554 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5571 2.1577 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1265 1.0414 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9833 -1.7725 0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5789 -3.0034 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3671 -2.7072 2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0143 -4.1770 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5439 -3.5000 0.8577 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