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
-1.8947 0.6598 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4515 -0.2894 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5973 -1.5109 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2338 -1.1053 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4306 -0.2644 0.2216 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7226 0.1552 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.2158 -1.2525 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5132 1.0169 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7030 1.3989 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 1.4044 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7587 1.2950 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4768 0.1575 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5217 0.2504 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4774 -0.5810 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5521 -2.1611 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0648 -2.1051 -1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3479 -0.5834 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4289 -1.9792 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 1.3371 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1098 1.0734 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3409 2.0470 0.9383 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