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
-3.6825 1.9852 0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5311 1.0171 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1088 0.7291 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2814 0.1479 0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1421 -0.1377 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9404 -0.7247 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2474 -0.9690 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1087 -0.0077 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 1.1941 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4842 -0.3102 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3137 0.6205 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2976 -1.0063 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3164 -2.3633 -0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5700 1.5345 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7403 2.3596 0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0526 2.8888 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1183 1.4065 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0741 0.0746 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1497 -0.0000 -1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6884 1.6582 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3178 0.7973 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7191 -0.8244 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5959 0.8462 -0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9128 -0.0596 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5307 -1.6922 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8021 -1.3412 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0481 1.6630 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3010 0.3401 -0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0568 -0.4663 -2.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -1.1508 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8581 -2.5338 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4242 -3.1938 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0513 -2.4816 -1.8232 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