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
-3.7813 -0.7696 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -0.3507 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9829 0.9495 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6575 1.3825 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3519 0.3857 0.0682 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6544 0.5800 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8883 1.6726 -0.9573 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7127 -0.3942 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4806 -1.5338 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0820 -0.1164 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6700 -1.1906 1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4621 0.1113 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2075 -1.5535 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6715 -1.1071 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5010 -0.1587 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9884 0.7793 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7424 1.7074 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7624 1.4617 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 2.3478 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2569 -2.2700 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4963 -1.7986 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7791 -0.3172 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2052 0.9457 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3537 -0.7632 -1.5112 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