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
3.1290 -0.0849 0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3946 -0.4369 -0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9373 -0.6769 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3854 0.5757 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9592 0.4920 0.8362 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9361 0.2509 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5873 0.1161 -1.3049 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3472 0.1469 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2124 -0.0853 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7023 -0.6091 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 1.0113 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2073 -0.4090 0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4698 0.4440 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8369 -1.2902 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8747 -1.4948 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3609 -1.0333 -1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0518 0.8145 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5248 1.4271 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6943 0.2553 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9164 -0.2021 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2687 -0.1681 -0.5306 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