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
    3.0435   -0.2407    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5874   -0.7984   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1810   -0.6910   -0.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196   -1.2487   -1.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2457   -0.0093    0.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1190    0.1078   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517   -0.4899    0.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    1.5432   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0726   -0.3334    1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105    0.3284    1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805   -1.3509   -0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2252   -0.4522   -1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427   -0.4603    1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -1.5659    0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0202    0.0311    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    1.5352   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    1.9119    0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688    2.1831   -0.8735 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