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
-3.5131 -0.2374 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1004 0.2541 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3567 0.2320 1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0580 0.7051 0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7940 -0.1222 0.0637 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1238 0.1296 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 1.1132 0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9159 -0.6679 -1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1688 -0.3747 -1.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4692 -0.9702 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8786 -0.8089 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2048 0.5870 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0490 1.2263 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6023 -0.5364 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8485 0.8738 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 -0.7874 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1460 1.7743 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5524 0.5695 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4693 -1.5054 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7758 -0.9739 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6967 0.4515 -0.8941 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