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
-3.4961 1.0828 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4622 0.8529 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1446 -0.6180 1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6021 -1.2052 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3167 -0.5497 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7012 -0.7230 0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9544 -0.1691 0.5891 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2158 1.1523 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2561 1.9589 0.3504 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5865 1.6174 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5799 0.7524 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0535 -1.1843 -1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 -0.6550 -2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7104 2.1702 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1641 0.7303 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4340 0.5731 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9595 1.1406 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 1.4883 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5324 -0.8349 2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1356 -1.1263 1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 -1.1290 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4126 -2.2770 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5110 0.5226 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8349 -1.7955 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3150 -0.2251 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 2.6528 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4092 -0.2910 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5763 1.0824 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7744 -1.0142 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1568 -2.2848 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2874 0.4364 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1760 -1.0172 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 -1.1142 -3.1596 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