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
-2.9853 -1.7314 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0064 -1.2197 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9182 -0.3844 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0023 0.0834 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0720 0.8820 0.5801 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9978 0.4129 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8642 -0.7766 -0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1073 1.2303 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2659 2.4620 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7507 -0.9566 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3792 -1.9746 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4747 -2.6226 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5487 -0.6523 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5637 -2.1312 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4217 0.5048 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4581 -0.9470 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3459 -0.7305 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 0.7624 1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8044 0.8054 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0775 3.0597 -0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 2.8788 0.3026 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