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
    3.2288   -0.8352   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7446    0.0462    0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    0.4012    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.2356    1.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   -0.1752   -0.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780    0.0615   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3841   -0.8182   -1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5542   -0.3908    1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693    1.4606   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5951   -1.3161   -0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2776   -1.0962   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907    0.5209    1.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334   -0.5220   -2.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -0.6772   -1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -1.8595   -1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657    0.2303    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -1.4626    0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510   -0.3086    1.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3419    1.4620   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    1.9323   -1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558    2.1110    0.4168 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