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
-2.9111 0.7374 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4744 -0.2659 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9931 -0.0178 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2175 -0.1835 0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1438 0.0234 0.4810 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9308 -0.7451 -0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4218 -1.6797 -0.9955 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3521 -0.4607 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9193 0.5198 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0258 0.7689 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 1.7575 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5930 0.4526 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6113 -1.2692 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0492 -0.2014 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8594 0.9890 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 -0.7626 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 0.6243 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 -1.1313 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9755 -1.0598 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2928 1.1356 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9495 0.7682 0.2034 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