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
-2.2143 1.3639 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7428 -0.0619 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4322 -0.6476 0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3599 0.1129 1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 0.1532 0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -0.9471 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1543 -2.0773 0.8783 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8874 -0.8598 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3983 0.2966 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5232 2.0687 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1806 1.4092 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3770 1.7087 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 -0.1124 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4632 -0.7359 -0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1620 -1.7081 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3327 -0.6475 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2851 -0.2861 2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 1.1668 1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4306 -1.7530 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3402 0.3288 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8886 1.2281 -0.2814 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