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
    2.8146   -1.6907    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6623   -2.2984    0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4821   -1.5109    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.0243    0.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458   -0.1357    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5516    0.6277   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430    0.2986   -1.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652    2.0809   -0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635    0.6310    0.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7018   -2.2265    1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -0.6056    0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312   -3.3621    0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3983    0.4431   -2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5756   -0.6877   -1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    1.0415   -1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8631    2.2413    0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    2.3335   -1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.7940    0.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660    1.4585    0.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481   -0.3039    0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    0.8958    1.8970 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