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
-3.6702 0.5609 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8960 -0.7210 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4903 -0.5583 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8606 0.5847 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4379 0.8247 0.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4449 -0.0892 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2200 -1.2316 0.7048 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 0.1433 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0861 1.2885 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8358 -0.8884 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4712 1.2247 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3437 1.0192 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7455 0.2866 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3887 -1.5967 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8797 -0.9102 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5380 -0.2475 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8859 -1.4593 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8777 0.2583 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5391 1.4580 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3105 2.0268 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0650 1.5731 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4145 -1.9262 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4338 -0.7555 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5371 -0.9313 -1.0055 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