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
    3.0873    0.4496    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -0.6424    0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -0.8493    0.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4605   -1.8959    1.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    0.1052    0.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1493   -0.1049   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975    0.9143    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632   -0.1713   -1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1405    0.5623    0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5829    1.2663    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162   -1.4168    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908   -1.1005    0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798    1.9084    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985    0.6213    1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    0.9987    0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261    0.8272   -2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510   -0.5893   -2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2952   -0.8828   -1.8811 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