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
    3.1082   -0.2320   -0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -0.3071    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -0.1781    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266   -0.2605    2.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489    0.0327   -0.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249    0.1497    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9543   -0.8780   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6196    1.5567   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677   -0.3286   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314   -0.0663   -1.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2610   -0.4705    1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2637    0.0458    1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682   -0.3773   -1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7642   -1.2078    0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597   -1.7528   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277    1.5347   -0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269    2.0147   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6760    2.1985    0.7335 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