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
2.6062 0.6880 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 -0.7488 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5955 -0.9857 0.8389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3553 -0.2036 1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6765 -0.4786 0.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8802 0.2268 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 1.0448 1.2958 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0162 0.0442 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1155 0.7215 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1085 1.0785 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2562 1.3089 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7091 0.8314 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1612 -1.3453 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5876 -1.1354 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3549 -2.0597 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3341 -0.7347 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0400 -0.5124 2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5205 0.8916 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9510 -0.6493 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1857 1.4216 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9607 0.5962 -0.9608 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