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
-3.9380 0.1226 -1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8283 -0.0892 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5680 0.6036 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4036 -0.0249 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0781 0.5512 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9904 -0.1477 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2695 0.3391 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4035 -0.1835 -0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2037 -1.1047 -1.7104 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7335 0.2735 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7599 -0.2600 -1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1426 0.5469 1.6841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1111 -0.8049 2.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0207 0.1233 -1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3589 -0.6395 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5380 1.1334 -1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6647 -1.1947 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7257 0.2015 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6478 1.6801 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5626 0.4545 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4551 -1.1113 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 0.1994 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0779 1.6208 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9270 -1.2530 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8211 0.1064 -1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8652 1.0581 0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7517 0.0771 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6081 -1.0364 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6793 1.1500 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0748 1.0896 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7098 -1.5655 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5914 -0.7099 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 -1.2060 2.4805 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