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
    3.6207   -0.3848    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377   -0.3493    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480   -0.0839   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.1069   -1.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0191   -0.0316    0.3683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    0.2217   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355   -1.0420   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9469    1.4121    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236   -0.5767    0.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533   -0.2217   -0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797   -0.5183    1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819    0.3749   -1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072   -0.9361   -0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542   -1.1468    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402   -1.9036   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788    1.8201   -0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6418    1.0666    0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362    2.1926    0.5366 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