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
    3.7368   -0.0236   -0.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6948    0.5989   -0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909   -0.0701   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029   -1.2196   -0.8456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899    0.5745    0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946    0.0804    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -0.2599   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683   -1.1193    1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8719    1.1881    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6553   -1.0247   -1.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041    0.4401   -1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    1.6019   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9809   -1.2491   -1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6659   -0.2877   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2108    0.5309   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909   -0.8560    2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594   -1.3414    1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728   -2.0261    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3705    1.7369   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440    1.9422    1.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090    0.7837    1.5146 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