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
    3.6436   -0.0213   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -0.0999    0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091    0.0040   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988    0.1732   -1.3282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112   -0.0741    0.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    0.0311   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9999    1.2471    0.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007   -1.2463    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6215    0.1228   -1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919   -0.0961    0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479   -0.2452    1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0699    0.1766   -1.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0400    0.9782    0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4589    1.6697    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0720    2.0337   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2431   -1.2208    1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.3451   -0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932   -2.0879    0.0312 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