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
    3.7772   -0.2705   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599   -0.0805   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -0.0946   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732   -0.2839    1.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685    0.0952   -0.7150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.0798   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397    1.1551    1.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499   -1.2272    0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645    0.3617   -1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095   -0.2608   -0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830   -0.4363    0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    0.0802   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1003    1.3899    1.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    2.0694    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4736    0.8995    1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -1.1998    0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222   -1.4116    1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326   -2.0234   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9200    1.2222   -1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0961    0.5090   -0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459   -0.5735   -1.6001 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