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
-3.5381 0.4468 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5175 1.4864 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0583 1.3272 -0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4492 -0.0166 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2280 -0.2956 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8373 0.6859 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0058 0.6780 0.1448 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0454 -0.1912 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0270 -1.1995 -0.6273 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2369 0.0112 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2756 1.0503 1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0678 -1.7484 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3498 -2.3944 -1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0505 -0.3505 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9945 0.0250 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3444 0.9560 1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9852 2.5251 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6774 1.5436 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3354 2.1204 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9488 1.4658 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0871 -0.0012 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2253 -0.7778 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6507 -0.0851 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0705 0.6806 -1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4202 1.7535 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0291 -0.6960 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4434 1.7624 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1085 1.2816 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9161 -2.2295 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7526 -1.9972 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9283 -1.7511 -2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9877 -3.2901 -1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5796 -2.7757 -2.0810 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