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
-2.9108 0.3689 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5874 -0.2437 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0106 -1.0507 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3301 -1.6114 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2142 -0.5989 0.1387 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6841 0.3859 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3056 0.4116 -1.8779 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6143 1.4213 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0413 1.4365 1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6997 0.1434 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8002 1.4801 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2789 0.0574 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8293 0.5085 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 -0.9154 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 -0.4532 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7121 -1.8829 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6990 -2.2701 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1704 -2.2605 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9639 2.1825 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7229 2.1972 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7191 0.6936 1.7256 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