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
-3.0237 -0.3996 -1.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7749 0.1461 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4518 -0.2197 0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2835 0.2666 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9265 -0.1345 0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1669 0.1970 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1649 0.8429 -1.0740 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4185 -0.1976 0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5567 0.1325 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9047 -1.0868 -1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 0.4059 -1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1922 -1.0145 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5577 -0.1180 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8053 1.2732 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4195 -1.3186 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 0.2052 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3109 1.3726 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2815 -0.1342 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4311 -0.7516 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5600 0.7000 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4957 -0.1669 0.5241 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