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
3.5440 0.9965 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2429 -0.3580 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8458 -0.8156 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8624 0.1882 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4400 -0.3094 -0.0826 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5938 0.3319 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5304 1.4057 -1.0789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9216 -0.2069 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9637 -1.3399 0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1675 0.4972 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6345 1.1894 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3729 0.9735 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9610 1.8105 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9656 -1.0752 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3614 -0.3700 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6539 -0.9489 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -1.7721 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9336 0.2706 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0285 1.1609 0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0679 -1.8623 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9313 -1.7364 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9594 -0.2589 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0324 1.0941 -1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4670 1.1351 0.4189 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