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
    3.2036   -0.7956    0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.0124   -0.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459    0.3134   -0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848    1.0902   -1.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674   -0.2621    0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9007    0.0145    0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -0.4249   -1.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952    1.4927    0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -0.7376    1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2433   -1.0229    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396   -1.2499    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    0.4691   -1.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984   -1.3616   -1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    0.3861   -1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057   -0.6887   -1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2033    1.6084    0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    1.9692    1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693    1.9720   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290   -0.9263    1.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0378   -1.6944    1.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506   -0.1639    2.2345 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