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 0.5059 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7815 -0.2411 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4184 0.0901 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 -0.3073 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9155 0.0246 -0.5289 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 -0.1993 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 -0.7176 1.2227 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3659 0.1639 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5326 -0.0432 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0936 0.6125 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6031 -0.0502 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5901 1.5370 0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7980 -1.3167 -0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5467 0.0859 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2459 -0.5279 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3314 1.1535 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3306 -1.4155 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4043 0.2316 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3427 0.6083 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4407 0.2350 -0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5546 -0.4920 0.9529 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