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
3.0435 -0.2407 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5874 -0.7984 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1810 -0.6910 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8196 -1.2487 -1.7435 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2457 -0.0093 0.0491 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1190 0.1078 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 -0.4899 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5204 1.5432 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0726 -0.3334 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4105 0.3284 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2805 -1.3509 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2252 -0.4522 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5427 -0.4603 1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1736 -1.5659 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0202 0.0311 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3433 1.5352 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9759 1.9119 0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6688 2.1831 -0.8735 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