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
3.7103 0.5939 1.7543 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 1.4066 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2193 0.8384 1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1653 0.7716 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1422 0.2177 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3231 0.1025 -1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4935 -0.3960 -2.2032 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7644 0.1112 -2.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7914 1.1328 -1.3205 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9621 -0.4932 -2.5796 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1233 0.0724 -2.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3427 -1.1594 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7060 -2.1436 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8445 0.5841 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6183 1.0619 2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6868 -0.4480 2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4924 1.3783 3.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6882 2.4475 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3966 1.4632 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1435 -0.1735 2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0056 0.0760 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3778 1.7883 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 0.8193 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5304 -0.4838 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1824 1.1368 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9392 -1.3826 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0143 -0.3672 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2495 0.9642 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3276 -1.5100 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4680 -1.1393 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6684 -1.9205 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3891 -3.1440 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9207 -2.2057 -1.1056 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