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
-3.3375 1.0111 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4975 -0.1638 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0519 0.2628 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1198 -0.8719 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1964 -0.3397 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3320 -1.0418 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 -2.2196 -0.8742 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 -0.4276 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7487 0.8049 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3635 0.6902 0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3493 1.7896 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8946 1.4932 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7332 -0.3135 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7062 -1.0907 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8246 1.1088 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7731 0.5127 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2275 -1.7073 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -1.2084 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5356 -0.9746 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 1.3947 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6901 1.2911 0.2924 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