Monomers
Butyl methacrylate
Identifiers
IUPAC name
butyl 2-methylprop-2-enoate
InchI
InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
InchI Key
SOGAXMICEFXMKE-UHFFFAOYSA-N
SMILES
CCCCOC(=O)C(=C)C
Canonical SMILES
CCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCOC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
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
24 23 0 0 0 0 0 0 0 0999 V2000
-3.4934 0.5561 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9601 -0.8082 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4691 -0.8690 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9470 -0.0179 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4493 -0.0689 1.1726 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3789 0.2899 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9059 0.7080 -0.8821 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8201 0.2153 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3371 -0.2107 1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7358 0.6280 -0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7663 1.3642 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3286 0.8477 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9524 0.5735 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2517 -1.5106 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4338 -1.2347 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0351 -0.5614 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 -1.9375 0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3433 1.0038 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 -0.4308 1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3921 -0.2808 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6547 -0.5102 2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6356 1.1492 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1836 1.3352 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0625 -0.2301 -1.2823 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
8 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 16 1 0
3 17 1 0
4 18 1 0
4 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers