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
-3.7595 0.9452 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 0.2978 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0918 -0.4316 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7664 -1.1210 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3146 -0.2116 0.3288 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6264 -0.6748 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 -1.9107 0.4558 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7712 0.1965 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6499 1.5088 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1233 -0.3796 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8774 1.2109 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5551 0.2034 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8475 1.8577 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4556 -0.4281 -1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6756 1.1183 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1889 0.2465 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8729 -1.2072 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6731 -1.6462 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7666 -1.9165 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6481 1.9120 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5037 2.1532 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1812 -1.2514 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9012 0.3407 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4151 -0.8122 1.1090 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