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
3.2779 -0.1289 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9252 0.2645 0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9094 -0.6026 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 -1.7868 -0.2672 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4765 -0.1904 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 1.0358 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2846 1.3917 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4825 -1.1884 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7612 -0.3597 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4082 -0.9890 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8152 0.7443 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1104 1.7591 0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3863 2.5030 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9087 1.0155 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6738 0.9384 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4876 -0.9228 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4957 -1.3189 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1620 -2.1647 -0.0866 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