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
3.4264 -0.7286 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9823 -0.7081 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5718 0.7059 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1541 0.7487 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7703 0.2917 0.0055 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1262 0.2934 -0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4357 0.7109 -1.4855 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1620 -0.1542 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4171 -0.1269 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6261 -1.5632 1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 0.2490 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1402 -0.7392 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3275 -1.1883 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9392 -1.2863 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2129 1.0037 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8077 1.4189 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1106 1.7553 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0904 0.0746 -1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9012 -0.5133 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7428 0.2195 -0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2318 -0.4634 0.8179 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