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
-3.9162 1.0285 0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5637 1.0729 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3939 -0.2267 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 -0.3507 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1428 -0.2896 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2822 -0.4197 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5426 -0.3821 -0.9191 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0450 0.6684 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3454 1.6957 -0.0306 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3617 0.5923 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8357 1.6034 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3704 -1.4442 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6464 -1.6946 1.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6793 1.3569 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1900 -0.0169 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9220 1.6188 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5534 1.9523 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7844 1.2542 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7034 -1.0436 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1977 -0.1863 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0695 0.4120 -2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.3631 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 0.6887 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1544 -1.4333 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1583 0.3259 -2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9613 -0.3037 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2518 2.5007 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8080 1.5369 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5226 -2.3433 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -1.2958 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -0.8297 1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0861 -2.1163 2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 -2.5679 1.2094 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