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
-1.4941 2.5706 1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6457 2.2148 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6855 1.0848 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0272 -0.0834 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1847 -1.3063 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2630 -1.1121 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9655 -0.1749 0.1452 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2876 -0.1234 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9277 -1.0579 -1.9193 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0514 1.0073 -1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3135 0.9648 -3.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5667 -2.1637 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9809 -2.7394 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 1.8300 2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0573 3.5325 1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4205 2.7730 2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7017 1.9167 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4317 3.1296 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7608 0.9385 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3257 1.4842 0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8629 0.2182 1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1028 -0.3364 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4915 -1.9736 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8003 -2.1236 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4516 -0.8920 1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3742 1.8253 -1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9778 0.1309 -3.6424 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8793 1.7869 -3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1079 -3.0239 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5305 -1.6498 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0352 -3.5851 -1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7530 -1.9765 -0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0345 -3.0863 0.7138 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