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
3.6833 0.7778 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0819 -0.3029 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7120 -0.6515 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2273 -1.6933 -0.7592 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9053 0.0903 0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4149 -0.2294 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3400 -0.3019 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4201 1.0127 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7422 -0.5698 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6872 1.0391 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1337 1.4331 0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6304 -0.9545 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 -1.1493 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7967 0.6008 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0665 -1.0825 -0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5510 1.1810 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6329 1.8501 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3055 0.9375 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 0.2598 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4649 -0.7604 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7299 -1.4867 0.8909 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