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
4.5202 -0.8252 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3695 -0.2782 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1712 -0.6425 0.2379 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9269 -0.0488 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8709 0.8184 -1.0359 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2548 -0.3678 0.5078 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 0.1718 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5181 -0.4678 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 -0.2071 -1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5906 1.6539 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4369 -0.5661 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5474 -1.5571 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3207 0.4642 -1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1752 -1.3500 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3520 -0.2234 2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5394 -0.2131 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3625 -1.5798 1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1627 -0.0056 -1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8664 0.4151 -1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1961 -1.2902 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6549 1.8977 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9653 2.1011 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4409 2.1007 -0.6691 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