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
    3.0912   -0.1266    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.1623   -0.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130    0.2270   -1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492    0.5065   -2.1443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -0.0037    0.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1205    0.0699   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648   -1.2727    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7567    1.0717    0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1608   -0.1895    0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660   -0.3127    1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176    0.3411   -1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493    0.3220   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964   -2.0237    0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960   -1.2273    1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3171   -1.6666   -0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.2469    1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9489    1.9938    0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367    0.7215    1.2234 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