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
4.2593 -0.0591 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0674 -0.2289 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8798 0.2245 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9806 0.7826 -1.5344 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6291 0.0455 0.1519 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4869 0.4998 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7239 0.1912 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9120 0.7027 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7734 -1.2944 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3683 0.4274 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1745 -0.3796 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0326 -0.7176 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4848 1.5856 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5589 -0.0583 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7124 0.7003 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0290 0.1107 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8317 0.7678 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6485 1.7331 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0537 -1.7996 -0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4573 -1.6081 1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7191 -1.6255 0.6863 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