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
    3.6644    0.1852   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467    0.3927   -0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530   -0.0305   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3234   -0.6249    1.0036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    0.2070   -0.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1948   -0.2060    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274    1.0201    0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528   -1.1426   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7826   -0.3313    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5149    0.5162   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055    0.8982   -1.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9281   -0.7091    1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946    0.9701    1.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3985    1.9449    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159    1.0952   -0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2771   -1.6510   -1.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232   -0.6015   -1.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4604   -1.9326   -0.2364 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