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
    3.2674   -0.5017    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677    0.3942   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    0.5984   -0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036    1.4370   -1.4464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   -0.1726    0.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8794   -0.1059    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886   -1.1416    1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5569   -0.3078   -1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    1.2626    0.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394   -0.6647    0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6481   -1.1399    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    0.9853   -1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6845   -0.6576    2.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1865   -1.7406    0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598   -1.8525    1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538   -0.4647   -0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5178    0.5590   -1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2429   -1.2006   -1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340    1.4149    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    1.2515    0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0295    2.0475   -0.0963 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