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
-2.6932 -1.0173 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4151 0.1373 -0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9062 0.4088 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 0.7312 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 1.0121 0.7398 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7818 0.0951 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 -1.0211 0.0281 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1945 0.3977 0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1373 -0.4931 0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9131 -0.6898 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 -1.6897 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6223 -1.5605 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9970 1.0025 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7153 -0.1717 -2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6711 1.2093 -1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4368 -0.5370 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1507 1.6474 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9704 -0.0830 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4933 1.3533 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1803 -0.3307 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8530 -1.4585 0.1234 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