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
-4.1301 -1.1429 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9321 -0.2060 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6951 -1.0104 -0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3889 -0.4220 -0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1677 0.5893 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5148 1.1220 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4719 0.1412 -0.5263 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0104 -0.6753 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6009 -0.5401 1.6130 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0265 -1.6822 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5134 -1.8938 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7751 1.6300 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1007 2.6831 1.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0386 -0.6256 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0290 -2.0891 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1519 -1.2390 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1278 0.1010 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0858 0.6376 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6765 -1.4759 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8751 -1.9488 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3400 0.0250 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3557 -1.3005 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4892 -0.0352 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7798 1.9329 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3395 1.5589 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3908 -2.2785 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2603 -2.6439 -1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1661 -1.3134 -1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2614 2.1370 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4812 1.1412 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9340 3.2318 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 2.1791 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 3.4123 0.7988 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