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
2.8111 -0.6259 -0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6432 0.2963 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2439 0.0313 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 0.8882 1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0715 0.7012 0.5899 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7560 -0.4838 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3069 -1.4894 1.0441 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9707 -0.6056 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4782 0.4203 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9959 -1.3586 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6299 -1.2145 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7608 -0.0235 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8303 0.0440 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 1.3529 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0585 -1.0409 1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1114 0.3075 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0611 0.7092 2.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3859 1.9524 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4698 -1.5571 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9882 1.3781 -0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3547 0.3180 -1.5947 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