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
-2.8814 0.7209 -1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5815 0.3669 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1056 0.5403 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2580 -0.3483 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1193 -0.1948 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0529 -0.9414 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 -1.7185 -1.5922 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4817 -0.8203 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9628 -0.0030 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9860 0.6445 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4298 0.0430 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 1.7851 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9250 -0.6636 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1822 1.0326 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9372 0.2569 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7812 1.5894 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4661 -0.1521 -1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5219 -1.4201 -0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1451 -1.4238 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0121 0.0974 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3012 0.6092 1.0489 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