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
    3.8257    0.2136   -0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561   -0.5379    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   -0.7869    0.6224 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514   -0.2548    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    0.5075   -0.8869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158   -0.5570    0.6004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    0.0065    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6639   -0.5076    0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898    1.5021    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636   -0.4279   -1.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1859    0.7741   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021    0.3079   -1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2536   -1.0509    0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830   -1.4340    1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5355    0.0419    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5216   -0.1928    1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619   -1.5976    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5518    1.8086   -0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993    1.9121    1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9117    1.9737   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243   -0.9243   -1.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -1.2139   -1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709    0.4376   -2.0782 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