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
2.5856 0.9543 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1902 0.7571 0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6335 -0.5064 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4912 -1.4504 -0.1459 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -0.7648 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6358 0.2264 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1887 1.6111 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2356 -2.1620 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1571 0.0125 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 1.3221 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8794 1.6379 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7020 -0.0153 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5740 1.9563 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6835 1.7878 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0952 2.2794 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7137 -2.6521 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8972 -2.7168 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3148 -2.2769 -0.5260 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