Monomers
Methyl tiglate
Identifiers
IUPAC name
methyl (E)-2-methylbut-2-enoate
InchI
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InchI Key
YYJWBYNQJLBIGS-SNAWJCMRSA-N
SMILES
COC(=O)/C(=C/C)/C
Canonical SMILES
CC=C(C)C(=O)OC
Isomeric SMILES
C/C=C(\C)/C(=O)OC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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
18 17 0 0 0 0 0 0 0 0999 V2000
3.3375 -0.2034 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9691 -0.4685 -0.1058 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9534 0.3999 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2703 1.5117 0.7864 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4579 0.0856 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3929 0.9377 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8264 0.6167 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7828 -1.2255 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5713 0.8811 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9125 -0.7119 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7318 -0.6683 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1131 1.8772 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4398 1.5274 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0126 0.2535 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1178 -0.1193 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5953 -1.1192 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0979 -1.9232 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0907 -1.6516 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
5 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
6 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers