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
    3.4016    0.0039    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876   -0.4537   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196   -0.4151   -0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5010   -0.8395   -1.8307 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452    0.0872    0.2082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    0.1193    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4731    0.9441   -0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    0.7615    1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898   -1.2446    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789   -0.0087    0.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.4024    0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -0.8563   -1.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6630    0.3276   -1.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693    1.7842   -1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024    1.3688   -0.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391    0.1688    2.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3325    0.8195    1.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582    1.7586    1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5435   -1.1378    0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818   -1.5818   -0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9613   -2.0085    0.7912 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