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
-3.8617 0.7215 1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4618 -0.5398 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9616 -0.7018 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3612 0.4746 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1637 0.3759 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5993 -0.8202 -1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9693 -0.9783 -1.1841 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8703 -1.3586 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4786 -1.6484 0.9212 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3081 -1.4453 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7522 -1.1480 -1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7611 0.7084 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3388 2.1476 1.3441 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9488 0.7156 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3090 0.8327 2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6269 1.5892 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8171 -0.4174 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9753 -1.4240 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6038 -0.6816 1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 -1.6598 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7808 0.6221 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6091 1.3936 0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4243 1.2648 -1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 -1.7801 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1536 -0.7490 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9912 -1.7451 0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0771 -0.8463 -2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7993 -1.2055 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8817 0.8383 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5825 0.0329 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6264 2.1320 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 2.6834 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1483 2.6165 1.9039 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