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
3.2942 0.2588 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0539 -0.2379 0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 0.4134 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0115 1.4207 -1.0037 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4172 -0.0174 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4747 0.6224 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8677 0.2474 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5800 -1.1917 1.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6130 1.1165 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1683 0.5776 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0916 -0.5296 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3567 1.4777 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2924 0.8415 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8576 -0.8530 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5079 0.4181 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3980 -1.5281 1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2446 -0.9887 1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9347 -2.0475 0.3976 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