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
-2.7344 2.6213 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5009 1.2330 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1937 0.6434 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1158 -0.7407 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0614 -1.5600 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -0.9478 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6367 0.3104 -0.2919 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7958 1.0158 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6141 0.4730 0.7739 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0802 2.3224 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1997 2.9438 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0464 -2.8587 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3019 -3.6030 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4853 2.6281 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8125 3.1500 -0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1728 3.2139 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3050 0.5759 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4205 1.2267 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2890 0.5815 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3500 1.3065 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1675 -0.5807 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0908 -1.2316 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0817 -1.8209 -1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1602 -1.6729 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3738 -0.8360 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 2.7570 -1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4464 3.9061 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9020 2.4894 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 -2.5965 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8574 -3.5011 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1071 -3.4459 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7220 -3.3038 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0952 -4.6984 0.3623 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