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
    3.5886    0.4399   -0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851    0.4836   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191    0.0613   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   -0.3597   -1.8071 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684    0.1087    0.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944   -0.2774   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335   -1.3525    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664    0.9713   -0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6061    0.0922   -1.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272    0.7527   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468    0.8390    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1841   -0.6355   -1.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8160   -2.3543    0.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275   -1.1090    0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363   -1.4082    1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1018    0.7019   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9837    1.3734    0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6141    1.6724   -1.0415 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