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
-2.3709 2.1620 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0226 1.1395 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3345 -0.2185 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8936 -0.0093 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0958 -1.2444 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 -1.2363 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 -0.4533 -0.3723 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3592 0.8875 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5457 1.5797 -1.0944 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3993 1.6443 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4628 2.9364 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2569 -2.0072 0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 -3.2444 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1258 2.8163 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7873 2.8532 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 1.7554 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0255 1.4732 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0892 1.0686 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8940 -0.9016 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3677 -0.5461 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4912 0.7015 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9220 0.5512 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6172 -1.9637 -1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 -2.3073 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2796 -0.9584 -2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0966 1.0846 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7347 3.4737 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2080 3.4949 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0241 -1.3726 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3053 -2.3656 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4133 -3.7379 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 -4.0021 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6728 -3.0534 0.8759 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