Monomers
Butyl acrylate
Identifiers
IUPAC name
butyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
InchI Key
CQEYYJKEWSMYFG-UHFFFAOYSA-N
SMILES
CCCCOC(=O)C=C
Canonical SMILES
CCCCOC(=O)C=C
Isomeric SMILES
CCCCOC(=O)C=C
Resources
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
1.5157
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
-2.9925 1.0876 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4735 -0.2998 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0123 -0.3196 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 0.2354 -0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 0.2276 -0.1832 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -0.9192 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3575 -2.0276 0.0424 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3702 -0.8098 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9509 0.3687 0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5493 1.8543 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0873 1.0808 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8988 1.3525 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6745 -0.9533 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0364 -0.6937 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8598 0.1850 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7570 -1.3855 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4108 1.2896 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2961 -0.3049 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9574 -1.6788 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9940 0.4654 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3631 1.2454 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
1 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
4 17 1 0
4 18 1 0
8 19 1 0
9 20 1 0
9 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers