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
    3.5852    0.5701   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    0.9585    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399    0.0869   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860   -1.0871   -0.5751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.4419    0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1298   -0.4549    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525    0.1704   -0.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8916   -0.6710    1.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729    1.1891   -0.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7075   -0.4284   -0.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813    1.9561    0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8041   -1.4311   -0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224   -0.6395   -1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7396    0.8404   -0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.7496   -1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358   -0.3172    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668   -1.7646    1.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4362   -0.1692    2.2109 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