Monomers
Isopropyl acrylate
Identifiers
IUPAC name
propan-2-yl prop-2-enoate
InchI
InChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3
InchI Key
LYBIZMNPXTXVMV-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(C)C
Canonical SMILES
CC(C)OC(=O)C=C
Isomeric SMILES
CC(C)OC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.124
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
18 17 0 0 0 0 0 0 0 0999 V2000
3.6125 0.4220 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5431 -0.3048 -0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 0.3493 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1166 1.5875 -0.6802 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 -0.3808 -0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1976 0.1019 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 -0.1549 1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9906 -0.4531 -1.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.4833 -0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6080 0.0105 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6730 -1.3696 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 1.2176 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7769 -1.1710 1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7385 0.6304 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0219 -0.0791 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0403 0.2286 -2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5410 -1.4235 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0238 -0.6940 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
6 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers