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
    3.5919   -0.1563   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549   -0.2493    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    0.0216   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    0.3434   -1.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245   -0.0772    0.3198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2514    0.1575   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0439   -1.1301   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8839    1.2649    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230    0.1153   -1.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5130   -0.3530    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   -0.5250    1.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1618    0.4367   -1.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185   -0.9264    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3526   -1.5354   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4588   -1.9295    0.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014    0.8108    1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607    1.9783    0.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232    1.7538    0.0419 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