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
-3.2059 0.3952 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3233 -0.7987 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9512 -0.5761 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3707 0.6449 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8849 1.0262 -0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9633 0.1793 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7929 -0.9543 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2675 0.5966 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2948 -0.2339 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9934 1.1334 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 0.8449 -0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2616 0.0541 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 -1.7300 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2146 -0.9571 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 -1.4836 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0745 -0.3862 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3899 0.4110 1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1228 1.4646 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4483 1.5644 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1664 -1.2237 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2859 0.0288 -0.6359 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