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
    3.8241   -0.2797    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964   -0.7584   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4430   -0.1314    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    0.8592    0.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087   -0.5896   -0.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0079   -0.0121    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139   -0.0172    1.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1640    1.3969   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1086   -0.8401   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937   -0.6852   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7947    0.5665    0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392   -1.6082   -0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9154   -0.9267    1.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    0.0365    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204    0.8400    1.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8376    1.4479   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    2.1342    0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2449    1.6347   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -1.8596   -0.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031   -0.4116   -0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455   -0.7961   -1.7386 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