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
2.9484 -0.5334 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8133 0.3146 0.0587 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5272 -0.2161 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4013 -1.4286 -0.3757 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6418 0.5957 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 0.0952 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0800 -1.3295 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4636 2.0327 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8559 0.0611 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1385 -1.1552 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 -1.1788 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7452 0.7301 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6991 -1.9974 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6426 -1.6327 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1924 -1.5148 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2895 2.1237 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0514 2.5207 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4021 2.5127 0.6883 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