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
    2.6937    0.3121   -1.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321    0.8832   -0.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761    0.7621    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    1.3281    1.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911    0.0635   -0.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -0.0648    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2135    0.3723   -0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1927   -1.5321    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    0.3999   -2.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942   -0.2621   -2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592    1.4440   -0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239    0.4919    1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3874    1.4622   -0.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531    0.1585   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1477   -0.1452   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093   -2.0499    0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -1.5874    1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8729   -2.0363    0.0136 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