Monomers
tert-Butyl methacrylate
Identifiers
IUPAC name
tert-butyl 2-methylprop-2-enoate
InchI
InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3
InchI Key
SJMYWORNLPSJQO-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OC(C)(C)C
Canonical SMILES
CC(=C)C(=O)OC(C)(C)C
Isomeric SMILES
CC(=C)C(=O)OC(C)(C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9042
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
24 23 0 0 0 0 0 0 0 0999 V2000
2.8625 0.7959 0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3437 -0.2832 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1786 -1.0885 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9213 -0.4611 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4940 -1.3714 -0.9696 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0338 0.3381 0.3779 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4208 0.1786 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0973 1.2549 1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8450 -1.1589 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8463 0.2551 -1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9366 1.7529 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1688 0.9357 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8897 0.5707 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2584 -0.9798 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 -1.8895 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8764 0.8354 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3734 1.7911 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6223 1.9942 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4080 -1.2270 1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9592 -1.1365 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 -1.9959 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2145 0.9964 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8854 0.6323 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7866 -0.7395 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 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
1 13 1 0
3 14 1 0
3 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
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers