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
3.7434 0.4764 1.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4661 1.4396 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9907 1.4469 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6089 0.0383 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1752 -0.0556 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7805 0.2870 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0898 0.1506 -0.3622 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2367 0.3879 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1364 0.7435 1.5733 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5754 0.2433 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6449 0.4738 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1141 -1.4455 -1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1486 -2.4824 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8093 -0.5610 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9401 0.4799 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7381 0.7038 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0675 1.1875 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7406 2.4792 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3641 1.7735 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 2.1398 -0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9050 -0.6352 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2234 -0.2298 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0037 0.6531 -1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7016 -0.4401 1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6196 1.3173 0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6470 -0.0633 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6119 0.7816 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6282 0.3521 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5611 -1.6616 -2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1632 -1.5822 -1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7713 -3.0858 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4994 -2.0779 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9186 -3.2347 -0.6843 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