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
    3.0159    0.0001    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    0.4544    1.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7598    0.4597    1.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0489    0.8850    2.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    0.0045    0.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0817   -0.0198   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672    0.8514   -1.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6046   -1.3888   -0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6123   -0.3550   -0.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0868   -0.0385    0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    0.8321    2.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6491    0.3907    0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    0.5992   -2.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902    0.5508   -1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2816    1.9156   -1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129   -1.5464   -1.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0551   -2.2005    0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6774   -1.3948   -0.1818 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