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
4.3418 1.2666 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3183 0.6660 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0258 0.8235 -0.6987 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8811 0.2052 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0283 -0.4878 0.8845 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3917 0.3334 -0.6443 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5068 -0.2962 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 -1.7980 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8176 0.1943 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6915 0.0155 -0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2269 1.8716 -1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3306 1.1580 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4422 0.0660 0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8713 1.3999 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9241 -2.1208 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8582 -2.1657 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4060 -2.2132 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2391 1.1121 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9081 0.3154 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5108 -0.5468 2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5158 -0.6945 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3291 -0.1695 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9941 1.0650 -0.9028 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