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
3.0508 0.0215 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 0.7429 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 0.7439 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6181 1.4046 1.7293 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2696 -0.0025 -0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1081 -0.0090 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8853 0.4974 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6172 -1.3946 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4055 -0.5515 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1291 0.0405 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1795 1.3364 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3289 0.6435 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1282 1.5531 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7979 -0.1231 -1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2556 0.2880 -1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6107 -1.5487 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7307 -1.5274 1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -2.1151 0.1827 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