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
-2.3900 -2.5295 0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9233 -1.3336 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8735 -0.2708 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3062 0.2452 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2613 1.3027 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8999 0.8098 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5721 -0.2729 0.4363 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6647 -0.8458 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0238 -0.3631 -1.2822 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4096 -1.9645 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4451 -2.4637 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8470 2.4877 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2531 3.5213 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0830 -3.3856 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3954 -2.8515 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 -2.2987 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7952 -0.9523 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3250 -1.6951 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1180 -0.6409 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4074 0.5785 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1537 0.7581 1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9572 -0.5409 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 1.6973 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5590 0.5185 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6471 1.6467 -0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1242 -2.3946 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7500 -2.0354 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 -3.2883 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6282 2.9438 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 2.1835 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 4.5314 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9111 3.5878 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8436 3.3149 -1.2271 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