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
-3.2139 -1.8214 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.3278 -0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 0.4594 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4034 0.1955 1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0924 0.3232 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1151 -0.5753 -0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3844 -0.4709 -1.1044 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5104 -0.8148 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4597 -1.2228 0.8164 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8403 -0.7004 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9115 -1.0193 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1436 1.7888 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 2.1053 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0770 -2.2817 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2469 -2.0455 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3091 -2.3535 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2501 -0.0403 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7489 -0.1057 -1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7851 1.5553 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4861 0.3703 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 -0.8351 1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2839 0.8667 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6928 0.0978 1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6043 -0.3576 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 -1.6544 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9388 -0.3564 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8272 -1.3625 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8821 -0.9438 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7030 2.1691 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0753 2.4041 1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4000 3.2478 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4993 1.7609 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3194 1.9448 0.2248 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