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
3.3076 0.1304 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 0.0964 -0.8074 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 0.0108 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5286 -0.0376 1.4328 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4187 -0.0293 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2106 -0.1110 1.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6771 -0.1475 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9724 0.0275 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8151 0.0403 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6122 -0.7053 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5842 1.1193 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8269 -0.1540 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9906 0.4228 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0766 -1.1853 0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1338 0.4141 1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6807 -0.8281 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5741 0.9776 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2270 -0.0410 -2.0237 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