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
    3.6125    0.4220   -0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431   -0.3048   -0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433    0.3493   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    1.5875   -0.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -0.3808   -0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1976    0.1019   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243   -0.1549    1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -0.4531   -1.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.4833   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6080    0.0105   -0.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -1.3696   -0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610    1.2176   -0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7769   -1.1710    1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385    0.6304    1.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0219   -0.0791    0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0403    0.2286   -2.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410   -1.4235   -1.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -0.6940   -1.1141 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