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
    3.6800    0.8885   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    0.2107   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3672    0.3016   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    1.0088    0.8863 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469   -0.3809   -0.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9960   -0.2750    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5624    1.1014    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359   -1.2020   -0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878   -0.8193    1.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067    1.4965    0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786    0.8685   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8644   -0.3965   -1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327    1.6145    1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    1.0001    0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081    1.6648   -0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185   -2.2626   -0.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671   -0.9019   -1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237   -1.0901   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9978   -1.2645    1.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706    0.0094    2.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169   -1.5719    1.6169 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