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
-2.2294 2.5366 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0162 1.0389 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3436 0.5716 -0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 -0.8989 -0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2118 -1.4038 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1576 -0.8190 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1929 0.5811 0.3361 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4815 1.1514 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5027 0.4127 0.2702 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6844 2.5668 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8890 3.0721 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0439 -2.9208 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3357 -3.6485 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2963 3.0842 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4528 2.7616 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0841 2.8485 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0067 0.5353 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4005 0.8546 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 1.2050 -1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0491 0.7889 -1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0161 -1.4805 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5145 -1.0932 -1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6707 -1.2196 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6599 -1.2491 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7674 -1.0490 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8397 3.2147 0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7632 2.4219 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0590 4.1406 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4632 -3.1384 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6941 -3.2247 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5106 -4.2131 -0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1915 -3.0055 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2302 -4.4224 0.9841 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