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
-1.9301 0.0612 1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0923 1.2969 0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4839 1.1912 -1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0016 0.9299 -1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3088 -0.2585 -0.3485 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6467 -0.6050 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5355 0.1687 -0.7067 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0612 -1.8161 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3269 -2.1251 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7686 0.0118 1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9547 0.0144 1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9914 -0.8507 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7187 2.1965 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2021 1.4352 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6080 2.1743 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0168 0.4528 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4296 1.7814 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4732 0.8957 -2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2998 -2.4560 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0689 -1.4756 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6146 -3.0229 1.0800 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