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
-3.2760 0.4230 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3889 -0.3700 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 -0.5083 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 0.8064 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0004 0.7365 -0.6204 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0050 0.0942 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7346 -0.4349 1.1772 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3704 0.0053 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2940 -0.6152 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2747 0.4850 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9100 1.4439 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4513 -0.1498 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8083 -1.3942 0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3814 0.1072 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0624 -0.9929 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -1.1838 0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2783 1.3729 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 1.4644 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6480 0.4462 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0383 -1.0583 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2994 -0.6776 -0.1056 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