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
-3.2519 1.0144 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4304 0.0533 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0063 -0.0571 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2718 -1.0170 0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0635 -1.2323 0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0339 -0.2815 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7540 0.9032 0.4885 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3745 -0.6188 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3046 0.3055 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5997 1.7815 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9925 1.4783 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8490 0.4782 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4241 0.3505 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9467 -0.9327 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5908 0.9633 -0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0748 -0.4228 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2454 -0.5922 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8567 -1.9471 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6240 -1.6288 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0778 1.3340 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3076 0.0681 -0.5544 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