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
    3.6323   -0.3189    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.0344   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156   -0.1812    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -0.5901    1.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088    0.1166   -0.5026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088   -0.0102    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9078    1.3485   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252   -0.9409   -0.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044   -0.6671    1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6239   -0.2217   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6322    0.3184   -1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1237   -0.3771    1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189    1.5459   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824    1.2548    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317    2.1637    0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5545   -0.3268   -1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3903   -1.7080   -1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -1.3712   -0.2361 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