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
2.4610 -1.0865 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1176 -0.6894 0.5606 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7288 0.2069 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6167 0.6948 -1.1497 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6490 0.6055 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6513 0.1381 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3971 -0.8393 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9735 1.5767 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1748 -0.4776 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6997 -0.8434 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6429 -2.1379 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6755 0.4405 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7267 -0.3039 1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 -1.1044 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9406 -1.7786 0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9914 1.4491 -2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9177 2.5871 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1921 1.5621 -2.4924 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