Monomers
tert-Butyl acrylate
Identifiers
IUPAC name
tert-butyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
InchI Key
ISXSCDLOGDJUNJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(C)(C)C
Canonical SMILES
CC(C)(C)OC(=O)C=C
Isomeric SMILES
CC(C)(C)OC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5141
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
21 20 0 0 0 0 0 0 0 0999 V2000
3.2674 -0.5017 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7677 0.3942 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3506 0.5984 -0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8036 1.4370 -1.4464 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5015 -0.1726 0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8794 -0.1059 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 -1.1416 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5569 -0.3078 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 1.2626 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3394 -0.6647 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6481 -1.1399 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4346 0.9853 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6845 -0.6576 2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1865 -1.7406 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5598 -1.8525 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6538 -0.4647 -0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5178 0.5590 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2429 -1.2006 -1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7340 1.4149 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3897 1.2515 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0295 2.0475 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers