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
    3.7241   -0.7014   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509   -0.0987    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827   -0.2218    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265   -0.9033   -1.0036 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075    0.3990    0.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847    0.2521    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4733   -1.1697    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216    1.0140    1.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1551    0.8986   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7589   -0.6524    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5208   -1.3059   -1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    0.4862    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728   -1.9140    0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054   -1.3979    1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1325   -1.2701   -0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2311    0.3122    1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4468    1.8921    1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276    1.2821    0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3813    1.6418   -1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450    1.3524   -1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0970    0.1048   -2.0063 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