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
-3.0441 -2.8832 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2997 -1.7880 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7578 -0.7459 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0403 0.2826 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4219 1.3941 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6219 1.1082 1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7951 0.5208 0.7198 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2125 -0.6662 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3439 -1.5348 0.0262 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6365 -0.9825 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8961 -2.1885 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0395 2.4274 -0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6875 3.6028 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1182 -2.6377 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6107 -3.1462 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9724 -3.7979 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4707 -2.1812 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0536 -1.2598 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6242 -0.2147 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 -1.1715 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8994 0.7381 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4128 -0.2203 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2625 1.9410 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8844 2.1171 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0998 0.6081 1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4083 -0.2571 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1331 -2.9284 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9148 -2.4671 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8292 2.7620 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7622 1.9520 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7115 3.2862 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1529 3.8193 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6789 4.5114 -0.8884 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