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
4.3976 0.1627 -1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2597 0.4652 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0694 -0.2478 -0.9976 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 0.1035 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 1.0461 0.5052 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2920 -0.5999 -0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4817 -0.2335 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 1.2019 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6691 -1.0509 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4203 -0.4911 1.5241 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4938 -0.6243 -2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2797 0.7291 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2208 1.2628 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0330 -1.0376 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3508 1.4042 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8740 1.3904 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3035 1.9278 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4936 -0.8537 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0063 -0.6523 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 -2.1205 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8516 -1.4354 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4471 -0.7022 1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 0.3554 2.1025 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