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
-1.4054 0.6150 1.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 -0.7749 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8588 -1.2248 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4239 -1.2350 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1649 0.0486 -0.4278 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4824 0.2291 -0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0888 -0.8118 -1.2467 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1662 1.5006 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4199 1.5686 -1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9252 1.1770 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5857 1.1862 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3284 0.5553 1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0411 -0.7660 1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4353 -1.5009 2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -2.1714 -0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3789 -0.4379 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3269 -1.5682 -1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1346 -1.9745 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6831 2.3855 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9363 2.5142 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9536 0.6853 -1.5410 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