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
2.3174 -0.9746 1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9784 -0.7111 0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 0.3177 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7146 1.0094 -0.6467 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5859 0.6462 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6275 -0.0079 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5009 -1.1173 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7417 1.7862 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7401 -1.6528 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3259 -1.4569 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8677 -0.0183 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6059 0.2812 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8978 -1.9196 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4975 -1.5646 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0477 -0.8026 1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5770 1.6088 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7991 2.7217 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1900 1.8545 -2.1884 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