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
2.4682 -1.1183 0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1161 -0.7302 0.4072 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 0.3364 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6444 0.9500 -1.0667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6450 0.6928 -0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 0.0834 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3414 -1.0732 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 1.8442 -1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0756 -0.1742 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7582 -1.7554 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5953 -1.6207 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6056 0.4177 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6375 -0.8452 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8950 -1.9009 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2919 -1.4809 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0089 2.7817 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0669 1.6748 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 1.9180 -2.1961 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