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
2.3177 1.4849 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0517 0.9058 -0.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -0.3241 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6635 -0.9967 0.8367 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.8860 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -0.2069 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4367 1.1282 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7943 -2.2261 0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1494 0.7511 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5173 2.1617 0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 2.0836 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5945 -0.6834 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7499 1.0636 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0694 1.8772 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3912 1.5226 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 -2.9946 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0794 -2.4298 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 -2.2312 1.4013 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