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
    3.0508    0.0215   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5582    0.7429    0.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221    0.7439    0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181    1.4046    1.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696   -0.0025   -0.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081   -0.0090    0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853    0.4974   -0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -1.3946    0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055   -0.5515   -1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.0405   -0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1795    1.3364    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3289    0.6435    1.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282    1.5531   -0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7979   -0.1231   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2556    0.2880   -1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107   -1.5487    0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -1.5274    1.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8704   -2.1151    0.1827 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