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
4.2408 -0.8146 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0298 -0.8712 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9519 -0.1468 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1699 0.5391 1.1582 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6446 -0.1455 -0.3389 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3676 0.5962 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 0.4227 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1123 -1.0228 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7239 1.2868 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4109 -0.2316 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0807 -1.3400 -0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8835 -1.4677 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1289 1.6785 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4525 0.2738 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5553 0.8352 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5002 -1.2760 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1891 -1.6449 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9024 -1.2429 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4046 2.3503 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6544 1.1266 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7356 1.0950 -0.0893 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