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
-2.8095 0.8296 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -0.6387 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0161 -0.7822 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 -0.1377 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1733 -0.1715 -0.7078 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7918 0.4165 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0375 0.9951 1.2127 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2303 0.3614 0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0409 -0.2408 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1415 1.4033 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8661 1.0489 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7073 1.1709 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5463 -1.0898 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1696 -1.0956 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7927 -1.8605 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9511 -0.2304 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 -0.7007 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6133 0.8788 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6389 0.8349 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6876 -0.7332 -1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1023 -0.2584 -0.0506 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