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
-2.7859 -1.7646 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4034 -0.8483 1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0523 -0.1750 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1669 0.6163 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0599 1.3463 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2598 0.5090 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7111 -0.2410 0.3686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8196 -1.0596 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3820 -1.0863 -0.8949 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3522 -1.8592 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4124 -2.6193 1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2893 2.0349 -1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4266 2.9934 -1.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9712 -2.4318 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2059 -1.2378 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6148 -2.4195 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1880 -0.0962 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3146 -1.4665 2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8119 0.4113 2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3261 -1.0262 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0018 1.3625 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5590 -0.0751 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3404 2.1245 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1634 -0.1159 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1015 1.2257 -0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9023 -1.8627 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8442 -3.2310 1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8716 -2.6258 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6163 2.5780 -2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 1.2319 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4024 2.5055 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4178 3.5208 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3040 3.7817 -2.4341 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