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
3.2414 0.4432 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8335 0.6108 -0.1143 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0045 -0.4656 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 -1.5514 0.4669 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4367 -0.3024 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9833 0.8462 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4389 1.0328 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2948 -1.4782 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5496 0.1546 0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6144 -0.2913 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6824 1.4401 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3277 1.6778 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9768 0.0701 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8149 1.7521 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7050 1.5114 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1359 -1.2050 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6449 -1.9845 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -2.2608 0.9241 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