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
2.3237 1.4420 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 0.8499 0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8043 -0.4880 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7637 -1.2784 0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5877 -0.9255 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5913 -0.0883 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4438 1.3745 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8255 -2.3880 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5712 1.7868 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 2.3799 -0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1390 0.7917 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5974 -0.4854 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8476 1.7777 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9452 1.6638 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4363 1.8883 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6575 -2.6305 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1165 -2.7428 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0974 -2.9276 -0.3910 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