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
-3.8112 0.3306 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4832 -0.1551 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 0.4472 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0771 -0.1176 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1065 0.3021 0.6403 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3190 -0.1756 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2697 -0.9825 -0.8076 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6023 0.1905 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6942 -0.3163 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1547 1.2518 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5647 -0.4542 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7692 0.4835 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 0.0147 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 -1.2783 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3454 1.5391 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4649 0.2762 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1612 -1.2425 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0759 0.1183 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6729 0.8711 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6882 -0.0865 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6509 -1.0167 -0.6662 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