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
-2.8642 -0.1114 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3427 -0.5374 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 -0.7061 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 0.6509 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0778 0.6673 -0.1216 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7603 -0.1138 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0945 -0.9103 1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2001 -0.0164 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8649 0.8159 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2200 -0.5250 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 0.9970 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8652 -0.5719 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5046 0.2665 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8113 -1.4903 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3561 -1.0641 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6306 -1.4464 0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8706 0.9313 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5300 1.4273 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7022 -0.6355 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9509 0.9217 0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3850 1.4505 -0.5703 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