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
-4.1494 -2.3015 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5353 -1.0853 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2531 -0.7489 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6582 0.4598 -0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3778 0.9196 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6916 -0.1587 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8935 0.2798 0.5695 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9671 -0.5908 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 -1.7383 0.1095 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2547 -0.2089 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2484 -1.0650 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0716 2.1434 -0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3544 2.7179 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2520 -2.0520 1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1174 -2.5693 -0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4118 -3.1217 -0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2805 -1.3086 -1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2686 -0.2642 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5995 -1.6210 0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5734 -0.4328 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5030 0.2883 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3899 1.2868 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5169 1.1858 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9503 -0.4098 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3360 -1.0816 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3544 0.7743 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1312 -2.0409 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1835 -0.7876 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 1.8848 -1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7059 2.9063 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 2.6381 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3508 3.8070 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2529 2.2948 -0.7103 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