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
    3.7079   -0.5783   -0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626   -0.8685   -0.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -0.1973   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705    0.6642    0.6243 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.5054   -0.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473    0.1333   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3080   -0.4454   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394    1.6162   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195   -0.2712    1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9131    0.1544    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331   -1.0865   -0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558   -1.6086   -1.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939   -1.5287   -0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654   -0.0143   -1.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1543   -0.2717   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202    2.1834    0.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908    1.8963   -1.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0530    1.9736   -0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071    0.2759    1.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493   -1.3760    1.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1706   -0.1454    1.9521 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