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
    3.3660    0.4137    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -0.6994   -0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343   -0.8247   -0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -1.8931   -0.7669 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    0.2272   -0.0912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036    0.1650   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -0.1494   -1.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399    1.5423    0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5256   -0.8142    0.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4384    0.4694    0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8240    1.3102    0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256   -1.5494   -0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6318    0.1819   -2.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018    0.4003   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -1.2407   -1.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102    2.2654   -0.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022    1.7713    1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360    1.6033    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4260   -0.4939    1.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6183   -0.8323    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703   -1.8528    0.6266 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