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
    3.7877   -0.0684   -0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027   -0.1841   -0.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721   -0.0522   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4903    0.1761    1.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205   -0.1641   -0.6905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771   -0.0390    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -1.0566    1.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832    1.3635    0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2643   -0.1791   -0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662   -0.1712   -1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9196    0.1273    0.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433   -0.3802   -2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570   -0.5519    2.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1513   -1.5904    1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -1.7816    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251    2.0895   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751    1.5081    0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5682    1.4500    1.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    0.7280   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881   -1.0599   -1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1880   -0.1639   -0.2615 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