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
-3.4626 0.4732 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9872 0.3327 0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 -0.8900 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0224 -1.1504 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 -0.0548 -0.2969 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1409 -0.0989 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6267 -1.1358 0.4042 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9958 0.9996 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2971 0.9358 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4847 0.3313 -0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8905 1.4145 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9760 -0.4108 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9673 0.1755 1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 1.2369 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5607 -0.6778 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0812 -1.7769 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0477 -1.3379 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2536 -2.0789 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 1.8794 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7554 0.0665 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9184 1.7667 -0.5815 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