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
    4.4241    0.0861   -0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   -0.3357   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    0.4402   -0.6179 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.0205   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264   -1.1065    0.4773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3317    0.6987   -0.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384    0.1479    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527   -1.1981   -0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7173    1.0263   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4463    0.1208    1.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190   -0.5003   -0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5023    1.0057   -1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -1.2762    0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745    1.3328   -1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712   -2.0286    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542   -1.3979   -0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4836   -1.1169   -1.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6597    1.9718    0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367    1.1299   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6588    0.5178   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9198   -0.7548    1.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298    0.2308    2.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8509    1.0267    1.9203 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