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
    3.3703    0.3718   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7739   -0.7968   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3088   -0.9087   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -2.0336   -0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5076    0.1922   -0.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8969    0.1879   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230   -0.5227   -1.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -0.3992    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137    1.6574   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4378    0.4647   -0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533    1.2661   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984   -1.6869   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0514    0.1585   -1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3134   -1.2417   -0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -1.1213   -1.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -1.0641    1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    0.4194    1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6738   -0.9844    1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    2.3208    0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2888    1.8264    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943    1.8941   -1.2178 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