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
-3.6178 2.0852 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 0.9895 0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5013 -0.1176 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1398 0.3963 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3314 -0.7401 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 -0.3301 -1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8164 0.2195 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1145 0.6283 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 0.4932 -1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9952 1.2138 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2180 1.5916 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 -1.9463 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5363 -3.0281 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8643 2.8960 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5944 1.6593 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5994 2.5470 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3707 0.5210 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0051 1.3719 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9887 -0.5370 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3834 -0.8642 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6147 0.7994 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 1.1734 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8455 -1.0773 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 0.3537 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5707 -1.2482 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6817 1.3582 1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5559 1.4605 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9088 2.0305 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3701 -2.3878 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 -1.7502 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4102 -2.9214 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5676 -2.8133 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1808 -4.0266 -0.0494 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