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
-2.8619 0.8104 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7544 -0.3969 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 -0.3128 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3201 -0.2562 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8515 -0.1773 0.4633 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1249 -0.1105 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 -0.1237 -1.3496 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3261 -0.0296 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5017 0.0313 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2940 0.6772 -2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4597 1.6876 -0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9419 1.0115 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6445 -0.3888 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7750 -1.3555 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5140 0.5909 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3856 -1.2073 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 -1.1589 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 0.6193 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1820 -0.0236 1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5939 0.0225 -0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3769 0.0903 0.7784 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