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
2.5474 -0.7242 0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 -1.0431 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 0.2672 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 1.2249 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4524 0.7731 0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5878 0.5183 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6301 0.6804 -1.2375 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7960 0.0448 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9035 -0.2113 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1161 -0.5689 1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1398 0.2088 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3129 -1.5483 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 -1.7355 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5579 -1.3657 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2307 0.5838 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 -0.0149 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5298 1.4533 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4708 2.1846 -0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7818 -0.1018 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9181 -0.0658 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7829 -0.5597 0.4977 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