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
    3.3180    0.3178   -0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462    0.8001    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306    0.6457    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045    1.1199    1.6444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602   -0.0177   -0.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029   -0.1880   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514   -0.9749   -1.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6838    1.0808    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1350   -1.0874    1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7422   -0.2250   -1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3716    0.4204   -0.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3497    1.3271    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160   -0.8015   -2.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4697   -0.6195   -1.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293   -2.0601   -1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    0.8710    0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146    1.9364    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    1.3329   -0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -1.3994    1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416   -1.9468    1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960   -0.5316    2.0619 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