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
-4.1876 1.7995 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4874 0.4803 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9965 0.6821 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2956 -0.6421 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1854 -0.5780 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8294 0.3296 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1920 0.5343 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8750 1.0459 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1454 1.3291 -1.6596 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3048 1.2092 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0136 0.8842 0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7021 -2.0126 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4805 -2.5827 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9251 1.8686 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4639 2.6497 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7825 1.9080 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6236 0.0461 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9471 -0.2088 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9528 1.0917 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6463 1.4009 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4918 -1.0187 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8303 -1.3463 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2647 -0.2880 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5814 0.0226 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3578 1.3507 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8274 1.6083 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0814 1.0110 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 0.4709 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7578 -2.0933 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0842 -2.6083 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9809 -1.9567 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5735 -2.7994 1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 -3.5876 1.0076 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