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
-3.1333 -0.7249 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4139 0.4133 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9806 0.5309 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 -0.7562 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 -0.8520 0.5595 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9875 0.0110 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5864 0.8739 -0.7504 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3897 -0.0508 0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2423 0.8106 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 -0.7175 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8317 -1.7037 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2267 -0.5413 0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4242 0.2429 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9978 1.3425 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 0.7174 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5481 1.4235 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 -1.5587 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4541 -1.0208 -0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7382 -0.7795 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9212 1.5660 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2624 0.7734 0.2328 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