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
    2.8093    1.7521    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    0.4891   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170   -0.2102   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4830   -1.4120   -0.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3438    0.4458    0.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135   -0.2008    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    0.8427    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -0.7276   -1.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047   -1.3220    1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7547    2.2601    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    2.3542    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789   -0.0327   -0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026    1.4900   -0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    1.4586    1.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9142    0.3690    0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794   -0.3511   -1.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774   -1.8463   -1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092   -0.5067   -2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.1049    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970   -1.4526    1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628   -2.2949    0.6048 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