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
3.7414 0.6558 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2608 0.2213 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9273 -0.1142 1.1751 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8708 -0.0187 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0647 0.3725 -0.9123 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4372 -0.3796 0.6501 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4442 -0.2662 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5103 1.1994 -0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 -1.1295 -1.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8075 -0.5989 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8064 0.8708 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1726 0.8206 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9572 0.0801 1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7037 -0.4621 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 1.8398 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 1.3486 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5610 1.5355 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8374 -1.9597 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1067 -0.5532 -2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1201 -1.5911 -1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9498 -1.6712 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5809 -0.1565 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9499 -0.0434 1.2112 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