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
    3.7518    0.0091   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733    0.7203   -0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    0.0365   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -1.2115   -0.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146    0.7082    0.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399    0.0808    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0258   -0.9445    1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0290    1.1930    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5359   -0.5474   -1.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6901    0.5561   -0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222   -1.0583   -0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033    1.7876   -0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086   -0.6255    2.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8014   -1.9277    0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.9903    1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    1.6363    1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779    1.9826   -0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515    0.8185    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135   -0.9315   -1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590    0.1530   -1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1363   -1.4452   -0.7756 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