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
3.4128 0.2398 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0259 -0.2502 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4969 0.3248 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1124 -0.1651 -1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 0.1873 -0.1036 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1483 -0.1354 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5597 -0.7897 -1.1182 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0905 0.2325 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3411 -0.1211 0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8709 0.7491 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4509 0.9719 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1055 -0.6086 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0399 -1.3487 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3728 0.0411 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4766 1.4211 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1738 0.0341 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 -1.2764 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1690 0.2305 -2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7390 0.7918 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7011 -0.6793 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0383 0.1504 1.5637 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