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
-3.2847 2.0360 0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5354 1.3641 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5692 0.2949 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9045 -0.2803 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1060 -1.3295 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3098 -0.9425 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 0.1592 -0.5277 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0702 0.7822 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5957 0.3440 1.0071 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6797 1.9257 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7512 2.5155 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4430 -2.6816 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1921 -2.7779 0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8383 3.0353 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3177 2.2200 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3111 1.4010 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9526 2.1544 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2126 0.9115 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9074 0.7323 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2544 -0.4102 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5057 0.5984 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 -0.6653 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5489 -1.4988 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0299 -1.8044 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0864 -0.8118 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2041 2.2720 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2257 2.1651 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1807 3.3420 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4311 -3.3856 -0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1155 -3.0141 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8222 -2.0774 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2907 -2.7688 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 -3.8054 1.3224 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