Monomers

tert-Butyl acrylate

Identifiers

IUPAC name
tert-butyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
InchI Key
ISXSCDLOGDJUNJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(C)(C)C
Canonical SMILES
CC(C)(C)OC(=O)C=C
Isomeric SMILES
CC(C)(C)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5141
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

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.1461   -0.4010   -1.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150    0.6767   -0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564    0.7490   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    1.8033    0.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4392   -0.2769   -0.3110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766   -0.2009    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8019    0.0498    1.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339   -1.4925   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6834    0.8929   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -1.2490   -1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505   -0.4527   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593    1.5238   -0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7856    1.1573    1.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -0.4140    2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699   -0.3281    2.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7300   -1.6800   -1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1343   -2.3232    0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6429   -1.3467    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5749    0.7796   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606    0.6427   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    1.8898   -0.0998 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
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 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
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers