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
3.4686 1.4276 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1394 1.9901 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9767 1.0992 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1587 -0.2506 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0905 -1.2380 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2884 -0.8715 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8127 0.2923 0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1045 0.6550 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7662 -0.0741 -0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7372 1.8633 0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9544 2.1940 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4069 -2.5775 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7276 -3.1212 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2032 2.2745 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4068 1.1411 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8110 0.5950 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 3.0027 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1637 2.1090 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 1.0928 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0760 1.5707 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2182 -0.0700 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -0.6138 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 -1.4448 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9561 -1.7174 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3579 -0.8158 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1932 2.4934 1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4983 1.5703 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4023 3.0798 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3407 -2.4881 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3816 -3.2937 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6871 -3.1787 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5675 -2.5405 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8130 -4.1549 -0.5061 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