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
-3.3007 1.0035 -0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9793 0.2887 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5301 -0.2029 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2023 -0.9399 0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8168 -0.0982 0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1188 -0.5038 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4265 -1.6847 0.1317 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0956 0.4361 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3537 0.0773 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2353 1.8493 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0589 0.3034 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6303 1.3095 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1660 -0.5548 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2375 0.9937 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5335 0.5697 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2781 -0.9876 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0637 -1.3755 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3352 -1.7905 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8082 1.4451 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0790 0.7758 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7248 -0.9141 -0.6518 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