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
-1.8190 2.5269 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 1.2460 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1101 0.4440 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6727 0.0379 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3667 -0.8092 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0819 -1.1649 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9059 0.0097 0.4391 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2858 -0.0807 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7739 -1.2436 0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1572 1.0875 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 2.3005 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1752 -2.0730 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9515 -2.9648 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5015 3.2801 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9764 2.3927 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5044 2.9937 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6514 1.5072 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5658 0.6697 1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7962 -0.4147 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2250 1.0696 -1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -0.4237 -1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 0.9691 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5919 -0.2148 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 -1.8750 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3450 -1.6658 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2268 0.9443 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3194 3.1654 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6057 2.5236 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 -1.8890 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8420 -2.6334 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9242 -3.3998 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 -3.8518 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4534 -2.4639 -1.5932 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