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
3.6043 0.0838 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4219 0.0831 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2436 0.0123 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3757 -0.0459 -1.3677 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0395 0.0095 0.4696 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1459 -0.0610 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9826 1.2101 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -1.2907 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7091 0.0339 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5103 0.1352 0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3073 0.1336 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -0.1063 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9617 0.9128 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4722 1.9195 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1244 1.7338 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4895 -1.6813 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7718 -0.9672 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3569 -2.1152 0.3390 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