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
    3.8376   -0.3905    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7595    0.3622    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101   -0.1881   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -1.4173   -0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    0.6381    0.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0261    0.1919   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032   -0.5225   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565   -0.6552    1.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.4370   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8323    0.0050    0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.4526   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8786    1.4210    0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4037   -0.4133   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    0.0360   -2.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598   -1.5939   -1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4782   -0.3567    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5519   -1.7395    0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115   -0.5835    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866    2.0271   -0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699    1.1615   -0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    2.0333    0.8349 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