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
3.1824 0.7024 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7882 0.6711 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 -0.4900 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6488 -1.5775 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4209 -0.4007 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0205 0.7746 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4792 0.9501 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2137 -1.6510 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4954 1.7335 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 -0.0105 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6120 0.5743 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4161 1.6843 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 1.9354 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8235 0.9387 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 0.1689 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0888 -1.5557 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5552 -1.9325 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6273 -2.5155 0.4056 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