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
-2.9255 0.5838 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4080 -0.3087 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9187 -0.5837 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2170 0.7510 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1556 0.6665 -0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7726 0.1381 0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0490 -0.3027 1.7145 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2269 0.0950 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0330 0.5493 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8014 1.6596 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0010 0.3821 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3688 0.4098 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9442 -1.2813 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5904 0.1880 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5004 -1.1974 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 -1.0911 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7241 1.4704 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 1.1770 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6751 -0.3231 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6270 0.9767 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0967 0.5115 0.0894 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