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
-2.8544 -0.6136 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 0.7749 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 0.7262 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3367 0.2068 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0513 0.0903 0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 -0.7105 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1703 -1.3586 -0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2570 -0.8165 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9268 -0.1488 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 -1.3717 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0984 -0.7901 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7890 -0.8050 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7644 1.2257 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6504 1.4249 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5154 1.7731 -0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5735 0.0814 -1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7579 -0.8261 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7573 0.8313 1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8098 -1.4565 -0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3775 0.4902 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9946 -0.2137 1.0723 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