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
    3.5891   -0.5273   -0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255    0.0993    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -0.3358   -0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0061   -1.2646   -1.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093    0.3256    0.1943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139    0.0196   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9025    1.1443   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0301   -0.4765    1.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   -1.3420   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5811   -0.2248   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575    0.9067    0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529   -0.8337   -0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795    1.7323   -1.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    1.7757   -0.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192    0.7445   -1.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -1.5546    1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1146   -0.2854    0.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290    0.0966    1.9316 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