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
    3.1139    0.5324   -0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -0.6410   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465   -0.9002   -0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7335   -2.0593   -0.7631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2419    0.0774   -0.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290   -0.1934   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6365    0.0631    1.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9561    0.6967   -0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1606    0.6775   -0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770    1.3455   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2652   -1.4454   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722   -1.2390   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    1.0286    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.7313    1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7247    0.0489    1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941    0.1611   -1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1406    1.6506   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657    0.9279   -1.9466 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