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
-3.6377 0.9850 0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5424 1.8408 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 1.0973 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 -0.1215 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2101 -0.8541 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8770 -0.0794 -1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8973 0.4603 -0.9365 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9503 -0.0161 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1332 -1.2480 -0.2099 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9245 0.8327 0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7938 2.1465 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0579 -2.3042 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5484 -2.6977 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6276 1.4884 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4494 0.7914 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7175 -0.0117 0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0283 2.6840 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9356 2.2512 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9270 1.7756 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 0.7576 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8496 -0.8152 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4564 0.1172 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0121 -0.8827 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2393 -0.6943 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3819 0.7977 -2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7522 0.4026 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5156 2.7408 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9722 2.6455 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5334 -2.7162 -1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0741 -2.8042 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8493 -1.8553 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 -3.3801 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4378 -3.3338 0.3247 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