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
-3.5803 -0.8861 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2491 -1.0271 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1749 -0.6477 -0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 -0.7380 -1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 -0.3754 -0.2365 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2000 0.8598 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 1.7431 -0.0224 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1949 1.1671 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2185 2.3731 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1281 0.1238 1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2438 -0.1590 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1355 -1.8660 -0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4680 -0.5802 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2441 -0.2899 -2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1423 -2.0563 -2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3646 0.3441 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2482 -1.4232 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3164 -0.0843 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4458 -1.7608 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9149 2.6672 2.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 3.1080 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6695 -0.6571 2.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5380 -0.3511 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0019 0.5156 2.3678 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