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
    3.6446    0.0241   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409   -0.1945    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561    0.1159   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056    0.6094   -1.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038   -0.1290    0.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    0.1335   -0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614   -1.1816   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0629    1.0417    0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488   -0.1991    0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    0.4484   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753   -0.6240    1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222    0.5653   -1.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065   -1.5352    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362   -1.0234   -1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096   -1.8927   -1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6001    1.1237    1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0985    0.6684    0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0153    2.0490   -0.2276 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