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
3.1461 -2.0941 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -1.9115 -1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0459 -0.5658 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8255 -0.4121 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1560 0.9252 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0548 0.9543 0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9358 -0.0980 0.0803 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1197 -0.2889 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4164 0.4740 1.7355 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0214 -1.3633 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1351 -1.5198 1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0924 1.9980 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4968 3.3807 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1487 -2.5900 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1484 -1.1304 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4434 -2.7852 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6436 -1.8890 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0766 -2.7472 -1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8035 -0.4722 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8272 0.1904 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1644 -0.5719 0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1390 -1.2538 -0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1728 1.0990 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6305 1.9013 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7342 0.9311 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7528 -2.0170 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3739 -0.8556 1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7961 -2.3233 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3248 1.8555 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0516 2.0141 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1070 3.5705 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2524 4.1712 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2377 3.4240 -1.0000 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