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
-3.0122 -0.0461 -0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 -0.1833 0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2783 -0.7463 0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3173 0.2276 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9615 -0.3241 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0601 0.3114 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8366 1.4225 -0.8546 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4107 -0.2275 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4279 0.4166 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0875 -0.2675 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3653 -0.6760 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8699 1.0113 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 0.8246 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3955 -0.8541 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9422 -0.9206 1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2644 -1.7279 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6522 0.3422 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 1.2307 0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5306 -1.1700 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4186 -0.0042 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3284 1.3606 -1.2200 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