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
-4.3908 -0.0009 0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9623 0.4713 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 0.4563 -0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 0.9172 -0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0912 0.1255 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2370 0.8912 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2994 0.2217 0.3586 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6022 0.6361 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8549 1.6837 -0.3108 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7032 -0.0390 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9227 0.4575 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1552 -1.2494 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9721 -2.2107 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9074 0.2293 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9114 0.4487 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4198 -1.1013 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9790 1.5638 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2768 -0.0714 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1577 1.2678 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 -0.4462 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8164 0.9001 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 1.9825 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2725 0.0702 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0720 1.9178 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 0.9506 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5755 -0.9390 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7815 -0.0019 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1445 1.3665 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6433 -1.1544 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9736 -1.7174 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3358 -2.2884 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6097 -3.2754 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7662 -2.0623 0.1763 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