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
-4.1035 1.4196 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0314 0.4097 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 1.1078 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5638 0.3546 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1063 -0.6402 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2774 -1.3124 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -0.4345 -1.2034 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 0.3708 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8913 0.3482 0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1035 1.2602 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8467 2.0285 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 -1.5633 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -2.5955 1.4519 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6721 2.1061 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5099 1.9877 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9489 0.8446 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4183 0.1238 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0833 -0.4652 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9890 1.9200 -1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5106 1.7051 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9318 -0.1897 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2005 1.0501 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6504 -0.0394 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8884 -1.9371 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7679 -2.0466 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2218 1.2482 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5899 2.6615 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7211 2.0341 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3517 -1.0296 1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4932 -2.1456 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7463 -2.1026 2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7396 -3.1106 2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4656 -3.3683 0.7863 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