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
-2.7567 2.1157 0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2774 0.9809 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 -0.2009 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0009 0.1312 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0898 -1.0690 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2302 -0.7216 -1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9973 0.2545 -0.6297 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6245 0.4732 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 -0.4018 1.4183 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3914 1.7102 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4902 2.6640 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0494 -1.9152 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9121 -3.0602 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6085 2.7953 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 1.7695 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0038 2.7313 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2361 0.6558 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4959 1.3585 -1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8518 -0.9885 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1888 -0.5370 1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 0.9550 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1585 0.4483 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5857 -1.7288 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 -0.5783 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8284 -1.7094 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8732 1.8341 1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0385 3.5589 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0128 2.5886 -1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 -2.4244 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1773 -1.4093 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5819 -3.9701 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9388 -2.8841 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8349 -3.4260 -0.7326 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