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
-3.4459 -0.8669 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2712 -0.3433 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 0.0761 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 -0.2806 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8355 -0.6881 1.4531 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 0.1963 -0.4297 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4207 0.2679 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3881 0.8479 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9363 -1.0897 0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4745 1.2383 1.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3754 -0.5347 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4272 -1.9711 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3733 -0.4963 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3608 0.0343 -2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 0.4548 -2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4538 0.2185 -1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0856 1.8921 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 0.9332 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8691 -1.3696 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 -1.1660 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1619 -1.8871 0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5301 1.3362 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7886 0.9633 2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 2.2344 0.8943 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