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
-4.4876 1.6044 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9995 1.8040 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3405 0.5718 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 0.7744 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1918 -0.4169 -0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2866 -0.2711 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9784 -0.0327 0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 0.1215 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9367 0.0418 -1.0222 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1423 0.3720 1.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4470 0.5120 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5151 -1.6930 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1975 -2.8642 -0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0399 1.7478 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8533 2.3966 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6881 0.5838 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8739 2.6624 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 2.0788 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5237 -0.2346 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8307 0.3172 -1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6443 1.7181 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 0.9040 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6207 -0.5599 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 -1.2363 -1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5567 0.4972 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6615 0.4436 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0033 0.6945 2.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 0.4456 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1557 -1.6222 0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6103 -1.8662 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1921 -3.0504 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2879 -2.6777 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4580 -3.7661 -0.7069 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