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
    3.7290    0.1830   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624    0.5652   -0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439    0.0823   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666   -0.6990    0.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.4872   -0.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727    0.0156    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2435    0.6472   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0886    0.4342    1.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180   -1.4816   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7999   -0.4812    0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218    0.5354   -0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.2333   -1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1837    0.4092   -0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0670    1.7405   -0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2676    0.1872   -1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001   -0.4246    2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8534    1.2381    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1017    0.8766    1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -1.8324   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003   -1.9388    0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1912   -1.7774   -0.5413 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