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
3.8140 0.4948 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9446 0.1774 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4878 -0.0419 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7263 -0.3474 -1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6243 -0.5787 -0.8373 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4384 0.3998 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9895 1.5375 0.0232 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8529 0.0787 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3299 -1.1015 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7232 1.1328 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8275 0.6784 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3757 1.3130 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7611 -0.4176 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9425 0.9562 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2577 -0.7781 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0854 0.8339 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4326 -0.8917 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1787 -1.2492 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9423 0.4854 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3692 -1.3254 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7070 -1.8591 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1622 1.6702 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6349 0.6730 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9450 1.8487 -0.3575 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