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
-2.8333 0.6420 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8023 -0.1419 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9712 -0.9848 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0700 -1.7839 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9431 -0.9283 -0.6629 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7182 0.0165 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6899 0.1639 1.2403 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5841 0.8497 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3323 1.7565 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4414 1.7000 0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9520 0.2829 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8206 0.6380 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3870 -0.8747 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1422 0.4945 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 -1.6808 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 -0.3347 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 -2.3205 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3866 -2.4952 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6315 0.7473 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2816 1.8547 0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9925 2.3984 -0.8204 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