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
-2.8527 -0.9800 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5664 -0.3012 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2516 0.8730 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 1.5606 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1545 0.7504 0.1893 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6140 0.1053 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9344 0.2869 -1.9996 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8074 -0.7290 -0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5356 -0.9343 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6468 -0.6665 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1091 -0.6321 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7717 -2.0866 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7512 -1.0662 0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 -0.0289 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2365 0.5973 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0800 1.6111 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1078 2.4857 -0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0875 1.8976 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1177 -1.2051 -1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 -0.4559 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4185 -1.5438 0.1578 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