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
3.2798 -0.2110 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9124 -0.4882 -0.3935 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9747 0.5435 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4580 1.7020 -0.1328 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 0.2655 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9411 -0.9455 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 -1.2127 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3806 1.3879 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5599 0.1815 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6290 0.4780 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 -1.1476 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2766 -1.8031 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5991 -2.3033 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9060 -0.8193 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8393 -0.7153 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9790 1.5895 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0692 1.1709 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8406 2.3269 0.3906 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