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
-3.7791 1.4811 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7510 0.3659 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5759 -0.5947 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3582 0.2423 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0463 -0.3773 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 0.7316 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3093 0.1843 -0.3107 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4436 0.9435 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2824 2.1789 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7878 0.4416 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8268 1.2280 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.5378 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5184 -2.7471 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0897 2.2725 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8104 1.9267 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6354 1.1053 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4972 0.8407 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7021 -0.1977 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -1.3352 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7845 -1.0395 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4731 1.0532 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3783 0.7640 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0308 -0.6735 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9270 1.2178 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8730 1.5239 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9216 -0.5967 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6783 2.2664 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8100 0.8445 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5408 -1.2506 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3816 -1.8479 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1224 -3.6797 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0797 -2.9583 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1635 -2.7760 -0.3983 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