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
    3.6381   -0.0064   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725   -0.1138   -0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544   -0.0058    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374    0.1945    1.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0120   -0.1115   -0.5351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722    0.0019    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0468   -1.2357    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714    1.2461   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    0.1658    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520   -0.0861   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107   -0.2847   -1.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561    0.1775    1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1140   -0.9097    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482   -1.8271    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.8703   -0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3376    1.9451   -0.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289    0.9349   -0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423    1.7852    0.7673 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