Monomers
Isobutyl acrylate
Identifiers
IUPAC name
2-methylpropyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
CFVWNXQPGQOHRJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=C
Isomeric SMILES
CC(C)COC(=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
1.3716
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
3.5791 -0.7722 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3315 0.4697 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9735 0.9756 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7786 2.1828 0.4492 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8704 0.1556 -0.1099 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4140 0.7221 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 -0.2478 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8339 0.4938 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5264 -1.4284 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 -1.4458 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5536 -1.1992 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1675 1.1239 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5607 1.2066 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4904 1.5358 -0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4696 -0.5768 -1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 1.4754 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6366 -0.1813 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9282 0.6822 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2837 -1.0978 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9094 -2.2804 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5935 -1.7940 0.7264 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
7 8 1 0
7 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
6 13 1 0
6 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