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
-3.0693 1.3310 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8526 0.7578 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 -0.7147 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3936 -1.1477 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 -0.3728 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9609 -0.5806 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0974 -1.4748 -1.3587 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0941 0.1914 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2821 -0.0381 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8281 2.2869 1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7726 1.6263 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5563 0.6523 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8475 0.8472 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9609 1.3167 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 -1.3242 -0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5088 -0.8909 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2077 -2.2209 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4689 -0.9314 -1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9317 0.9435 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3923 -0.8046 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1464 0.5477 -0.1798 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