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
3.5564 0.5470 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4781 0.5898 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2076 0.1074 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0892 -0.3571 -1.2614 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0633 0.1471 0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 -0.3183 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 0.8524 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7734 -1.3972 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4997 0.8950 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4891 0.1551 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 0.9836 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0181 -0.6827 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9365 1.4098 1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8041 1.5076 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1738 0.5351 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4918 -1.2473 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8772 -1.3086 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5263 -2.4186 0.6480 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