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
-3.9964 1.6765 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9300 0.6625 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3655 0.0221 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 -0.9971 0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0911 -0.4580 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5566 0.6243 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6988 1.2291 0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9840 0.8259 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2879 -0.3160 0.4498 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0596 1.6418 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2791 1.1551 -0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7966 -1.5666 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0853 -2.6049 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9351 2.6029 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0122 1.2431 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8280 1.9786 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1102 1.1667 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4192 -0.0669 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2304 -0.5208 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 0.8154 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9657 -1.4717 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7724 -1.7518 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5211 -0.0564 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1982 1.4617 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7110 0.2306 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8752 2.6399 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4667 0.1684 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1109 1.7029 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6409 -1.2337 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2632 -2.1299 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 -3.2700 -1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3852 -2.1494 -2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5850 -3.2544 -0.8193 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