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
    3.8095   -0.3494   -0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6094   -0.4742   -0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4471   -0.1267   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    0.2852    1.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -0.2357   -0.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0072    0.0620    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430   -0.7440    1.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722    1.5538    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535   -0.2990   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6805   -0.6086   -0.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9315    0.0003    0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.8222   -1.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2925   -1.8137    0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577   -0.5355    2.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2742   -0.4814    1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2488    2.0379   -0.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961    1.9904    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    1.6929    0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554    0.1865   -0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130   -1.3971   -0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497    0.0785   -1.9287 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