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
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
4.5732 0.1287 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3662 -0.3924 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2161 0.4521 0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 -0.0965 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8210 -1.3379 0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2414 0.6319 0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5323 0.1310 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7705 -0.8625 1.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9124 -0.4150 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4785 1.3118 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6800 1.1898 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4192 -0.5314 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2338 -1.4555 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3158 1.4721 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1653 -1.7671 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8577 -1.1034 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5030 -0.3625 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5292 -1.3311 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0528 -0.6841 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5279 0.2967 -1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5330 1.8485 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4436 0.9317 0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0030 1.9451 1.2310 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