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
2.6518 0.4312 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6929 0.8684 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -0.2578 -0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5695 -1.3658 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 -0.9400 0.4637 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -0.3774 -0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6029 -0.2486 -1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 0.0550 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8969 0.5842 -0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6445 0.1579 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2392 -0.3719 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8201 1.3190 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8378 1.3984 0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2350 1.6062 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6754 0.1580 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 -0.6984 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2494 -1.7708 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3078 -2.1497 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0225 -0.0347 1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8574 0.7147 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8133 0.9220 0.2757 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