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
-4.1071 -0.4045 1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6587 -0.1194 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 -0.3616 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3578 0.4942 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1036 0.4756 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7858 0.8155 -0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1766 0.7569 -0.7185 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9542 1.4975 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 2.3587 0.8243 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4080 1.2284 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9466 0.3150 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7846 -0.7025 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4829 -2.0013 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6556 -1.3325 1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2134 -0.5969 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9847 0.4602 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8911 0.9389 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 -0.7398 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0444 -1.4471 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9620 -0.2339 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6940 0.2601 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 1.5545 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4004 1.3473 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5174 1.8665 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5544 0.1056 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0350 1.8098 0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0046 0.1307 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3716 -0.3139 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 -0.7032 2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8971 -0.4997 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4046 -2.6450 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2295 -1.8173 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3445 -2.4967 0.8977 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