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
-3.7151 0.5715 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9723 -0.7045 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4925 -0.5872 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8889 0.5120 -0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4583 0.7604 -0.3749 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 -0.1727 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0740 -1.2963 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8724 0.1253 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2482 1.3136 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9409 -0.8739 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4680 0.9547 1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7991 0.3351 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5487 1.3432 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0948 -0.9423 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4600 -1.5174 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4293 -0.4512 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0461 -1.5558 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 1.4580 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1602 0.3455 -1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2665 1.5844 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4758 2.0723 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6216 -0.5345 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5697 -0.8819 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5302 -1.8586 -0.8238 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