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
3.2628 -0.1058 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9394 0.3347 -0.1252 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9047 -0.5936 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2349 -1.8175 -0.2399 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4758 -0.2187 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 1.0245 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 1.4831 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5148 -1.2676 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2825 -0.7963 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6755 -0.6505 0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8897 0.7686 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0689 1.7886 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3628 2.4376 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4679 1.6018 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9395 0.7667 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3426 -1.0430 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0671 -2.2535 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 -1.4591 -0.8211 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