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
    2.7863    1.0824   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206    0.1112    0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -0.4761    0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623   -1.4061    1.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2633   -0.0130    0.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -0.4679    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9284    0.6990    0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560   -0.9229   -1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9245    1.4036   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668    1.5541   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721   -0.2289    1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2166   -1.2799    0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9968    1.3810   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9253    0.3747    0.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3761    1.2670    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4329   -1.6067   -1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884   -1.4231   -1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214   -0.0483   -1.8826 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