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
2.9680 0.3358 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7856 -0.4129 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5537 0.2229 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5407 1.4711 0.1813 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6781 -0.5463 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8638 0.0180 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9757 1.4697 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6068 -2.0241 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7613 -0.1792 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8353 1.3376 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2263 0.3635 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7623 -0.5668 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5675 1.8537 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0515 1.8163 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5318 2.0352 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5189 -2.4385 -0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3487 -2.4764 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2343 -2.2798 -0.8978 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