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
3.1797 -0.3016 0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8074 -0.5238 0.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9730 0.4270 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4355 1.5557 -0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 0.1108 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1979 1.0261 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6091 0.6573 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9333 -1.2627 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8057 -0.5784 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3818 0.7905 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4499 -0.9104 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 1.9937 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6911 -0.3871 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9828 1.3058 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2053 0.7885 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8078 -1.9581 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4092 -1.5718 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0000 -1.1615 0.4206 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