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
3.4414 -2.4599 0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9816 -1.4860 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9488 -0.5830 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4265 0.4334 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4026 1.3422 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8004 0.6478 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5150 -0.0800 -0.3983 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6587 -0.7551 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0014 -0.6843 1.2694 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4800 -1.5411 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5520 -2.1715 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0847 2.4429 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9518 3.4039 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3819 -1.9560 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 -3.2972 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4672 -2.8354 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5532 -2.0070 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8431 -0.8300 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1430 -1.2419 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4447 -0.0832 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3061 1.0723 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1061 -0.0767 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 1.8494 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4730 -0.0677 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4698 1.3732 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2098 -1.6132 -1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8655 -2.1246 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1918 -2.7661 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9822 3.0544 -1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2870 2.0538 -1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8028 4.3969 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9612 3.0628 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8772 3.5270 0.6907 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