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
2.4405 1.1383 -0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0712 0.8272 -0.3764 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7287 -0.4753 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6490 -1.3316 -0.0057 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6568 -0.8267 0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5835 0.1016 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3542 1.5046 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9944 -2.2462 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7146 0.8474 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6189 2.2167 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0897 0.5270 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6156 -0.2140 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9403 1.6677 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6936 2.0312 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3130 2.0538 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1640 -2.9144 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1119 -2.3865 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8854 -2.5209 -0.0279 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