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
-3.2145 -1.0148 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 0.2070 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0330 -0.1011 -0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2930 1.2027 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9882 1.0308 -1.2664 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0126 0.3080 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7466 -0.2260 0.4328 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3265 0.1479 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2258 -0.5518 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0880 -1.3022 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8520 -1.8270 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2791 -0.7804 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9247 0.9336 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2086 0.8025 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4977 -0.7949 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 -0.5442 -1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8564 1.8605 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2757 1.7425 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5481 0.6039 -2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0609 -1.0340 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2030 -0.6632 -1.0579 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