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
2.7126 0.3261 -0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 0.3871 -0.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5343 -0.7081 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0571 -1.8442 -0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8873 -0.5826 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4970 0.5746 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7333 1.8194 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7216 -1.8139 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9685 -0.5768 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2996 0.4188 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9398 1.2223 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5335 0.6036 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3460 1.8670 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4271 2.6934 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0783 1.9583 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2650 -1.7011 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4166 -1.9422 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0840 -2.7016 0.3851 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