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
3.7766 -0.3767 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7255 0.4063 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 -0.1769 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1852 -1.4081 0.1917 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3152 0.6485 -0.0354 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0226 0.2066 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3694 -0.5142 1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8734 1.4775 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3642 -0.6926 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -1.4478 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7893 0.0064 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8505 1.4632 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3980 -1.6014 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6130 -0.2878 2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3777 -0.2025 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7196 2.0790 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6031 2.0123 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9345 1.1747 0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4820 -0.6406 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1042 -1.7360 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8473 -0.3901 -2.0976 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