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
Resources
cid=

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
    3.4780   -0.7420   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019   -0.1183    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347   -0.3782   -0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520   -1.1690   -1.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1050    0.2606    0.3130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424    0.0439   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851   -0.4578    1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8012    1.3834   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2501   -1.4198   -1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5165   -0.6048   -0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857    0.5758    0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674   -0.6770   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -0.7052    1.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7092    0.2877    1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4667   -1.4274    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8163    2.0754    0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016    1.7944   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    1.2781   -0.8721 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