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
2.5968 -0.9218 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1960 -0.7363 0.3286 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6951 0.4836 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5546 1.3674 -0.4006 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7350 0.7204 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6298 -0.1959 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 -1.5416 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 2.0644 -0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8322 -2.0072 0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8792 -0.4837 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1150 -0.3950 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6748 0.0355 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 -2.0828 -0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7335 -1.4301 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1858 -2.0944 0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2525 2.0472 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 2.8214 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 2.3489 -1.7439 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