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
-2.9276 0.5635 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5534 -0.6436 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1098 -1.0437 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2375 0.0978 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1376 -0.1691 0.0934 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0535 0.8162 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 1.9122 0.8564 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4850 0.6467 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9941 -0.4824 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0376 0.5592 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 1.5188 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5220 0.4828 -1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7457 -0.3739 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2496 -1.4609 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9564 -1.3240 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9408 -1.9559 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4708 0.9504 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 0.3544 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1326 1.4580 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3956 -1.3314 -0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 -0.5750 -0.2152 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