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
-3.0495 0.8070 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4097 -0.4255 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 -0.2204 -0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2347 0.0693 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 0.2730 0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9775 -0.7169 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4332 -1.7938 -0.3049 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4156 -0.5113 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9116 0.6456 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3153 1.6586 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9315 1.0557 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3308 0.6306 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -0.7304 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5184 -1.2613 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8259 0.6846 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5466 -1.0792 -1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3936 -0.8431 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7835 0.8756 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0094 -1.3290 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9798 0.7764 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2742 1.4344 0.7199 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