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
    3.3765   -0.2129    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6387    0.1555    1.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892    0.2419    1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070    0.5894    2.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462   -0.0836   -0.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477   -0.0467   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    1.3213   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742   -1.0145    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503   -0.4407   -1.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645   -0.4655   -0.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4363   -0.2763    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    0.4085    2.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9336    1.4119    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1884    1.5997   -0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251    2.1093   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447   -1.0060    0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5740   -0.6892    1.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928   -2.0414    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5367   -1.3313   -1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672    0.3793   -2.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314   -0.6087   -1.8518 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