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
    3.5564    0.5470   -0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.5898    0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    0.1074   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0892   -0.3571   -1.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    0.1471    0.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580   -0.3183    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232    0.8524    0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -1.3972    1.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    0.8950    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4891    0.1551   -1.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    0.9836    1.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0181   -0.6827   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365    1.4098    1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8041    1.5076   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1738    0.5351    0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918   -1.2473    2.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8772   -1.3086    0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5263   -2.4186    0.6480 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