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
-2.8102 0.5212 -0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5343 -0.3039 0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0711 -0.3257 0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3035 -0.9025 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0683 -0.9881 -0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9156 0.0716 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 1.2112 0.1928 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3498 -0.0913 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1330 0.9231 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8477 0.9617 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1105 1.3437 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 -0.1146 -1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8658 -1.3476 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1706 0.0681 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 -1.0330 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7262 0.6717 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 -1.9421 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 -0.3406 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7574 -1.0897 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7468 1.9183 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1875 0.7886 0.7467 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