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
-4.8680 0.2170 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6994 0.8638 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 0.2471 -0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2170 0.8287 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0648 0.2126 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2737 0.8165 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4202 0.1797 -0.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7055 0.4833 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8662 1.3643 0.9365 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8356 -0.2169 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0841 0.0753 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 -1.2691 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1069 -1.8738 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2111 0.8674 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7272 0.1100 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5993 -0.7602 -1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7954 0.7354 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7458 1.9628 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5179 -0.8493 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3578 0.4692 -1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2464 0.6804 1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2424 1.9241 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1469 0.5111 -1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3006 1.9082 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2841 0.6452 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6938 -0.9817 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2426 0.8310 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9394 -0.4264 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0646 -1.6107 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6687 -1.6617 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9130 -2.6553 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4400 -1.1837 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7916 -2.4442 1.2778 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