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
    3.0893    0.6884    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621   -0.4869    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2628   -0.8024   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -1.9599   -0.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431    0.1276    0.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1229   -0.2112   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9638   -0.0516    1.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064    0.5760   -1.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1428    0.8455    0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    1.5484    0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940   -1.2800    0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1409   -1.2849   -0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    0.1540    1.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7168    0.7496    0.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5636   -0.9906    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035    1.6166   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8174    0.6962   -1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    0.0654   -2.3052 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