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
3.9614 0.2416 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9713 -0.6055 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6748 -0.1155 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5002 1.1154 0.2827 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6355 -0.9857 0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6281 -0.5615 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3114 0.3864 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -0.3066 -1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6920 0.6744 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9226 -0.1173 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8118 1.2968 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1279 -1.6669 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2673 -1.4634 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5941 -0.1006 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 1.3020 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6646 0.4470 -2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4157 -0.9394 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6677 -0.9580 -1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 1.7267 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4798 0.6021 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9661 0.0279 1.2355 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