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
    2.9095   -1.8503    1.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671   -0.9119    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236   -0.7030    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535   -1.4040    1.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    0.2817   -0.2833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.4743   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4641    1.8459    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206    0.2264   -1.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9712   -1.9886    1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3484   -2.5110    1.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0073   -0.3044   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.2625    0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067    2.3228    0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8531    2.5082   -0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270    1.7904    1.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    0.6501   -1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267   -0.8591   -1.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520    0.6951   -2.4353 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