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
    3.6043    0.0838    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0831    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436    0.0123   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757   -0.0459   -1.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0395    0.0095    0.4696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1459   -0.0610   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826    1.2101   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779   -1.2907   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7091    0.0339   -0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103    0.1352    0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073    0.1336    1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.1063   -1.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9617    0.9128    0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722    1.9195    0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244    1.7338   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895   -1.6813   -0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718   -0.9672    0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -2.1152    0.3390 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