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
-3.6876 0.4873 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8011 1.1401 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4956 1.6363 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6016 0.6734 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0503 -0.4836 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7416 -0.1985 -1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8525 0.5940 -0.9388 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9466 0.3460 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0382 -0.7361 0.4466 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0301 1.3022 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0832 1.0380 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -1.6899 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2912 -2.8540 -0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0619 1.3020 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0822 -0.1819 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4996 -0.0223 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6333 0.4338 -1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3692 1.9903 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0334 2.2334 -0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7906 2.4626 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1459 0.2857 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2262 1.2844 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8082 -0.8400 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1328 -1.2006 -1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1387 0.1610 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9656 2.2393 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1557 0.0985 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9131 1.7153 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0977 -2.1121 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 -1.5257 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9803 -3.7266 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6826 -3.1487 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2459 -2.7036 -1.7826 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