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
3.6538 0.2139 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4566 -0.3056 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2680 0.2531 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2491 1.2826 -0.5845 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 -0.3670 0.3094 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1384 0.0996 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8251 -0.8523 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1348 0.5118 0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4803 -0.2488 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7996 1.0973 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3354 -1.2100 1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8996 1.0154 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -1.7970 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3402 -1.0133 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8414 -0.4446 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 1.4230 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1740 -0.3177 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1368 0.6595 0.3990 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