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
2.5230 -1.2179 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1609 -0.8505 -0.1923 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7296 0.4574 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6372 1.3055 0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6879 0.8243 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6556 -0.0212 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3483 -1.4493 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0002 2.2684 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7377 -1.7437 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2058 -0.3573 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6750 -1.8833 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6749 0.3259 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3067 -2.0079 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7493 -1.5715 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8294 -1.8477 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5739 2.2942 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1085 2.8948 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7345 2.5798 -0.5211 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