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
-3.0796 1.1284 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8047 0.3312 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6693 -0.5395 0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 -1.2915 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -0.2772 0.5612 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 -0.5396 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3520 -1.7294 0.3096 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9167 0.5824 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2138 0.3977 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1317 1.5730 0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9201 0.4678 -0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9811 1.9596 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8995 0.9823 -0.4256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7459 -0.3437 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5320 0.1524 1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 -1.2293 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4428 -1.8049 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1581 -1.9978 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5907 1.6112 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9449 1.1844 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5673 -0.6174 0.0691 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