Monomers

Tert-butyl vinylcarbamate

Identifiers

IUPAC name
tert-butyl N-ethenylcarbamate
InchI
InChI=1S/C7H13NO2/c1-5-8-6(9)10-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InchI Key
SJDWKAHMQWSMPV-UHFFFAOYSA-N
SMILES
C=CNC(=O)OC(C)(C)C
Canonical SMILES
CC(C)(C)OC(=O)NC=C
Isomeric SMILES
CC(C)(C)OC(=O)NC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NO2
Heavy Atom Count
10
Molecular Weight
143.186
Exact Molecular Weight
143.0946
Valence Electrons
58
Radical Electrons
0
tPSA
38.33
MolLogP
1.6546
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.5365    0.0285   -0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196    0.3820   -0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2294   -0.2061    0.2096 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713    0.1019   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6441    0.9112   -1.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2101   -0.4546    0.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132   -0.1191    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7358   -0.4948   -1.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453   -0.9900    1.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    1.3051    0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7224   -0.6764    0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3946    0.4477   -0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746    1.0938   -1.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   -0.8876    0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4789   -1.3142   -1.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587    0.3953   -1.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -0.8584   -1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649   -1.3927    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8807   -1.8279    1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9214   -0.4009    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955    1.9749   -0.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    1.6480    1.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815    1.3341    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  8 15  1  0
  8 16  1  0
  8 17  1  0
  9 18  1  0
  9 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
 10 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers