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
-3.7784 0.0966 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5199 -0.6186 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3213 0.1945 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0513 -0.5252 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 0.2480 -0.0973 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3512 -0.0432 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6504 -1.0876 0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4350 0.8351 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6853 0.5219 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6306 -0.5437 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8283 1.0864 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7622 0.2158 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5631 -0.6729 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4835 -1.6276 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3286 0.2954 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3302 1.2152 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1210 -0.5529 1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0434 -1.5625 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2081 1.7429 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9263 -0.3706 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4687 1.1528 -0.5214 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