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
-3.5219 -2.5182 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2783 -1.6178 -0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 -0.3328 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6469 0.8032 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2636 0.7917 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7180 -0.1527 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0110 0.0308 0.3641 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0479 -0.7710 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8210 -1.6105 -0.9987 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3826 -0.6428 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3568 -1.4150 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3427 2.1953 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4122 3.2614 0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7626 -2.3151 0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2847 -3.5652 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3574 -2.1162 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4608 -2.2317 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2343 -1.5663 -1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7567 -0.5625 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5750 0.0002 -0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1640 1.6588 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6691 1.2179 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2119 0.7025 1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9069 0.1207 -1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 -1.1967 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6183 0.0688 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1662 -2.1390 -0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3648 -1.3504 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4267 2.1674 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2574 2.3571 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1154 3.7761 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3087 4.0501 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9274 2.9017 1.7232 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