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
-2.9904 0.3238 1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3358 0.8829 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1041 0.0559 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1644 0.1392 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0313 -0.5669 0.6317 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9619 -0.3380 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7075 0.5891 -1.1648 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1892 -1.0923 -0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0080 -0.7913 -1.4802 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6128 0.7636 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9081 -0.7790 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0774 0.6166 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0673 0.7964 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0531 1.9415 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 0.5520 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3813 -0.9659 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 -0.1749 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0179 1.2452 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4091 -1.8867 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9271 -1.3194 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7706 0.0082 -2.1646 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