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
3.2237 -0.3765 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 -0.5613 0.1155 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9816 0.4401 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 1.4746 -0.8556 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4326 0.2982 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8960 -0.7821 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3554 -0.9923 0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3900 1.3623 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4797 -0.7221 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4331 0.7108 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7635 -0.9442 0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2126 -1.5438 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5251 -1.9555 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7964 -0.2115 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8241 -1.0108 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 0.9060 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4658 2.0652 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 1.8428 -1.4372 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