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
    3.6633   -0.3624   -0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5537    0.3203   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331   -0.2955   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0459   -1.5293   -0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988    0.4781   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756   -0.0719    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832    0.1474    1.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.4173   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6300    0.0988   -0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086   -1.4282   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470    1.3915   -0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0861   -1.1696   -0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3683    1.1369    1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818   -0.6080    1.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916    0.0460    2.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9206   -0.3271   -1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    0.3738   -2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    1.3818   -0.8728 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