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
-2.8467 1.2745 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6299 0.5606 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 -0.8129 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2009 -1.4119 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 -0.5518 0.0966 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1736 -0.8570 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3044 -1.9102 -1.0139 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2986 0.0115 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1050 1.0997 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6630 1.8541 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2061 1.9547 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6619 0.5354 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 1.1168 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 0.3876 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3677 -0.7531 1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3001 -1.4910 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0072 -2.4240 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2978 -1.4234 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2751 -0.2323 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1208 1.3401 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 1.7325 0.9106 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