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
    3.3458    1.8975   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    0.8836    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    0.6978   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365    1.5090   -0.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815   -0.3656    0.3862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.6008    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1383   -0.7779   -1.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7647    0.5017    0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2614   -1.8916    0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3782    2.0411    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    2.6262   -0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169    0.1692    0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2468   -1.0236   -1.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    0.1531   -1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758   -1.5939   -1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918    0.7253    1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339    1.4478    0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8166    0.1591    0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1947   -1.7167    1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036   -2.6527    0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -2.1885    0.4595 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