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
-3.9489 0.9800 -1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6554 1.2548 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 0.6903 -1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2310 0.9269 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 0.2429 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1453 0.5139 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3177 0.1957 0.5192 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9264 -0.9206 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3355 -2.0114 0.2396 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2571 -0.9558 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9427 0.1502 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 -1.1677 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5529 -1.8657 1.7174 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3355 1.8773 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7365 0.6473 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7823 0.1973 -2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5807 2.3868 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7346 0.9311 0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 1.0716 -2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6995 -0.4208 -1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5762 0.4762 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0764 2.0268 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9225 0.7811 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1419 1.6379 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 0.0958 2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6884 -1.8893 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9106 0.1485 -1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5152 1.0837 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7326 -1.1373 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2124 -1.7983 -0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 -2.5370 1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5507 -1.1192 2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4804 -2.4929 1.8993 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