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
-2.7624 -2.0768 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5281 -1.8380 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3186 -0.9372 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5001 0.3895 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3887 1.3630 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9301 0.8970 0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4351 -0.2696 -0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6459 -0.7990 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2626 -0.1690 0.9034 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1987 -2.0230 -0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3558 -2.4685 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7745 2.6321 0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 3.7037 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 -3.1653 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7361 -1.6091 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -1.7147 1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4175 -1.3889 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3134 -2.7873 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2788 -0.7979 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4001 -1.4699 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7002 0.3322 0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4824 0.7962 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 1.6328 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7619 0.6758 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7046 1.6981 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6815 -2.5740 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9280 -1.9662 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7830 -3.3745 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0026 2.3813 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7022 3.0069 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2378 4.6850 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 3.7133 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0953 3.5220 0.9564 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