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
2.8492 -0.8488 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8346 -0.0342 0.0957 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 -0.2588 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2520 -1.2532 -0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5696 0.5743 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8547 0.3838 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 -0.7417 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1819 1.7095 1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4383 -1.7296 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4505 -1.2648 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5512 -0.3081 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6283 1.0079 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3863 -0.8025 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9460 -1.7251 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8543 -0.6371 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0448 2.2165 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 1.2909 2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3979 2.4212 0.6029 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