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
-2.7397 0.2360 0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8897 0.4378 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1530 -0.8331 -0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 -1.3181 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 -0.4916 0.6933 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7592 -0.0282 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 -0.4182 -1.3195 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8429 0.8470 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7385 1.2339 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1026 0.4130 1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1377 -0.7938 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5886 0.9312 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5815 0.7295 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2137 1.2936 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6913 -0.7453 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9534 -1.6173 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8584 -1.5815 1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1865 -2.2894 -0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9542 1.2067 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6548 0.8964 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5657 1.8914 -0.3486 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