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
-2.9870 0.5012 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3775 -0.8451 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9375 -0.9460 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1074 0.0188 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2463 -0.0005 0.4864 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7826 0.2742 -0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9533 0.5552 -1.6567 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2156 0.2457 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0800 -0.0478 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8530 0.4689 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4333 0.8671 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3035 1.2627 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9413 -1.5719 -0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5599 -1.1892 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8614 -0.8099 -1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6070 -1.9777 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 1.0728 0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2569 -0.2300 1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5530 0.4717 -2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1361 -0.0768 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7207 -0.2711 0.8977 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