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
-2.9240 -2.3815 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3223 -1.0473 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5512 0.0960 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0955 -0.0845 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2411 1.0278 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2095 0.7546 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 -0.4535 -0.4810 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9972 -0.7987 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7243 -0.0303 0.4499 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5768 -2.0242 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8344 -2.3085 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5813 2.3565 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 3.3936 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8130 -2.9912 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4593 -2.9711 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2521 -2.3055 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4256 -0.9420 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2142 -1.0275 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7957 0.1406 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9580 1.0318 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7765 -1.0369 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9621 -0.2128 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4237 1.0975 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7989 1.5979 -0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3063 0.8073 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 -2.6906 -1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2990 -3.2250 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4185 -1.6216 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 2.5992 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3148 2.3131 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2282 4.3330 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6136 3.1127 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2689 3.4913 0.3586 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