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
-4.3373 0.1074 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0159 -0.5053 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8545 0.3127 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -0.3656 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5702 0.2756 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7942 -0.3036 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8000 -1.3714 -1.0042 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0559 0.2690 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 1.3604 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3381 -0.3574 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2166 0.8416 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8377 0.5986 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0467 -0.6724 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8871 -1.5355 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8816 -0.5649 -1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0147 0.3571 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9130 1.3265 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5542 -0.3505 -1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6082 -1.4065 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1342 1.8150 1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9942 1.8373 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1914 -1.4532 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1040 -0.3069 0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7079 0.0920 -1.2220 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