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
-3.2666 -0.3200 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3912 -1.2170 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9625 -1.2455 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 0.0787 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0559 -0.1194 -0.0923 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9731 0.8863 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6097 2.0423 0.1655 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3099 0.5937 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2199 1.5245 -0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9459 0.7485 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2996 -0.3528 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3487 -0.6035 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8113 -2.2427 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 -0.8874 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9547 -1.5805 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3471 -1.9806 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 0.8488 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1664 0.4111 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5579 -0.4132 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9804 2.5346 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1910 1.2941 -1.1212 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