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
    3.3708   -0.3811    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7812    0.4632   -0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3326    0.5658   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    1.3607   -1.4044 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193   -0.2129    0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863   -0.1300    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4178    1.2196    0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3786   -1.0928    1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -0.5095   -1.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931   -1.0060    0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423   -0.4418    0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    1.0890   -1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.9135   -0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403    1.6523    1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5018    1.1011    0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -1.0783    1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871   -2.1101    1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0220   -0.6808    2.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8045    0.4051   -1.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6815   -0.9885   -1.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3713   -1.1385   -1.0732 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