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
3.0732 0.4063 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6597 -0.4977 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2633 -0.6932 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8971 -1.5693 1.3254 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2442 0.0340 -0.1091 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1206 -0.1773 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 -0.5269 -1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6854 1.0705 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1147 0.5733 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3705 1.0468 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4065 -1.0951 0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2251 -0.9989 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3338 -0.9218 -1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7261 -1.2451 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4510 0.3846 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3120 1.6017 0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3618 0.8311 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8811 1.7770 1.1121 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