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
-2.8555 0.8763 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5032 -0.5379 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0078 -0.7701 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 0.1624 1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0664 0.0051 1.0131 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8951 0.1878 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3497 0.5367 -1.1519 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3279 0.0037 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0475 0.1964 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2374 1.2246 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9422 0.9192 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6582 1.5161 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8297 -0.7534 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0242 -1.2467 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6906 -0.5567 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8296 -1.8301 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 0.0090 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6422 1.2059 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8031 -0.2933 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 0.4967 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1392 0.0545 -1.0818 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