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
-3.2166 1.2052 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4364 -0.0431 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0210 0.3086 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3199 -0.9876 0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0008 -0.8700 0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0257 -0.2528 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 0.2452 -0.9295 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3898 -0.1542 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3017 0.4567 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 1.9169 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0929 0.9066 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5637 1.6533 0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9213 -0.6911 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3921 -0.6242 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4978 0.8530 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0761 0.9716 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3810 -1.5655 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9454 -1.5767 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6226 -0.5856 1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0241 0.8685 -0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 0.5698 0.2889 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