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
    3.0709   -0.1075    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5844   -0.5507   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.4832   -1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392   -0.9012   -2.0965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571    0.0474   -0.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391    0.0994   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -0.8289    0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7012    1.4775   -0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    0.3083    1.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -0.1645    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2324   -0.9684   -1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.3207   -1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616   -1.5337    1.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935   -0.1668    1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177   -1.3958    0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1851    1.7885   -1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4898    1.4864    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373    2.2137    0.0461 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