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
-3.2134 0.7498 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4030 -0.4636 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9483 -0.0780 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -1.1740 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3157 -0.7364 0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8785 0.3094 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2176 0.9584 -1.4789 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2623 0.7137 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9636 0.0225 0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2039 0.4793 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 1.4119 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6431 1.3127 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6623 -1.3677 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 -0.6733 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8100 0.8368 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7969 0.1709 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1570 -1.4508 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1444 -2.0604 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7075 1.5551 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9991 0.2918 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5405 -0.8082 1.0158 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