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
-2.7497 0.4095 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6805 0.5822 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1227 -0.7522 -0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5101 -1.5206 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5523 -0.8251 0.7841 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7083 -0.4339 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8197 -0.7196 -1.0818 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7755 0.2891 0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8499 0.6327 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0391 -0.6656 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6643 0.9699 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 0.7943 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1163 1.0808 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8621 1.2462 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9999 -1.3071 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3992 -0.5852 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1475 -2.4920 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 -1.7802 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7118 0.5485 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6442 1.1645 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9838 0.4060 -0.8832 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