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
3.7984 -0.5197 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5328 0.2660 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3010 -0.5696 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1066 0.3140 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1100 -0.3622 -0.0812 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 0.3230 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2572 1.5448 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5962 -0.3514 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7388 0.2994 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2034 -0.7663 1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5807 0.1417 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7269 -1.4091 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5448 1.0881 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3896 0.7059 1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2031 -1.4200 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3379 -0.9767 -0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1863 1.1032 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1346 0.8346 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6107 -1.3984 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7693 1.3748 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6516 -0.2223 -0.3826 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