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
    3.1396   -0.2437    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    0.4321    1.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496    0.4616    1.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112    1.1097    1.7301 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770   -0.1972    0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7123   -0.1359   -0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7725   -0.6901    0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831   -0.9263   -1.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779    1.3123   -0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.7716    0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170   -0.2766    1.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3635    0.9497    2.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3851   -1.6178    0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6372   -1.0108   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1660    0.0444    1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7798   -0.7134   -2.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.6500   -2.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665   -2.0198   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6923    1.3139   -1.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910    1.8948   -0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0142    1.7347   -1.2327 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