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
2.9593 0.5431 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.3292 0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5608 0.2164 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4575 1.4649 -0.1133 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6299 -0.6025 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8517 -0.1140 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1255 1.3434 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4747 -2.0745 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8870 0.0811 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1330 0.9104 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7866 1.4784 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7170 -0.7665 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2022 1.5589 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6629 1.8487 0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6623 1.7860 -1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1260 -2.2836 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4342 -2.5990 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2554 -2.4618 -0.6160 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