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
-3.6189 1.8368 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3645 1.9970 1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6073 0.6922 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2088 0.2118 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4660 -1.0828 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7924 -0.9864 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7150 -0.0740 0.1407 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9115 0.0945 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1800 -0.5456 1.8584 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9340 1.0476 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6903 1.7397 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -1.6763 -1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6012 -2.9771 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3365 1.6510 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2763 2.7222 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1343 0.9201 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7459 2.8506 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6945 2.1805 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2122 -0.0947 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 0.8067 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1682 -0.0223 -0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6951 0.9678 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1141 -1.8444 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2984 -1.9929 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6115 -0.7671 1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8604 1.1729 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7671 1.6141 -1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4235 2.4306 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1006 -1.9041 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4535 -0.9840 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4122 -3.7032 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6806 -2.8166 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2342 -3.4646 -0.3843 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