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
4.0960 1.8526 0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8111 1.7511 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 0.3634 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9044 0.2903 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2369 -1.0391 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0314 -1.0906 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9618 -0.1153 -0.7176 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1948 -0.0127 -1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4822 -0.7915 -2.2673 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1797 0.9664 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9683 1.8254 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0265 -1.4393 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6600 -2.8082 1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7119 0.9639 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8526 1.8116 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5920 2.8046 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0810 2.5314 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9954 1.8353 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8659 -0.4205 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0105 0.2627 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2440 1.1452 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2092 0.4033 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9287 -1.8057 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4643 -2.1121 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 -0.8561 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1233 0.9995 -1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7128 2.5511 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0163 1.7876 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9638 -1.5420 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6174 -0.7025 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7529 -2.6275 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4854 -3.3520 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2986 -3.4301 1.9129 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