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
-3.4215 -2.1880 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5255 -1.1493 1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6558 -0.4680 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7718 0.5662 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1324 1.2704 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 0.5388 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1544 -0.1568 -0.2402 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2319 -1.2339 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1677 -1.8043 0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4885 -1.7782 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6473 -1.2373 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7314 2.0507 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 2.7922 -2.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2709 -1.6982 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7963 -2.7219 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7600 -2.9525 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8943 -1.7000 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1282 -0.4419 1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 0.1419 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.1624 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3056 0.1958 1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 1.3725 1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6457 2.0812 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6906 -0.1580 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6539 1.3050 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4536 -2.6309 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5896 -1.6092 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6815 -0.3726 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 2.7301 -0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3229 1.3449 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0397 3.2530 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 2.1731 -2.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4241 3.6475 -2.4945 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