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
2.7571 1.1796 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8420 0.1001 -0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4576 0.3326 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1199 1.5441 -0.0561 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5025 -0.7478 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 -0.4759 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 0.9092 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0543 -2.1569 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1944 1.2529 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5926 0.9051 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3173 2.1277 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4993 -1.2980 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4322 0.9017 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0084 1.4800 -1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0327 1.4112 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 -2.2641 0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 -2.3278 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 -2.8736 0.0553 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