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
-2.4729 1.0050 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4456 0.7287 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0956 -0.7423 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5241 -1.2081 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6489 -0.5378 0.7306 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7703 -0.6180 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7332 -1.2925 -1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 0.0633 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0486 0.7717 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1192 1.8671 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9748 1.2650 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 0.0917 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8751 0.9604 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5295 1.3547 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4468 -1.0404 -1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0797 -1.2665 -1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2862 -1.2292 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2722 -2.3006 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8773 -0.0233 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9342 1.3042 1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1845 0.8471 2.0214 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