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
3.0110 0.2864 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 -0.3831 0.2331 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5604 0.2567 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5077 1.4983 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6763 -0.4945 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8653 0.0336 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 1.5086 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5842 -1.9912 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2925 0.6408 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8167 -0.4091 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9495 1.1293 0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7372 -0.5948 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6140 1.9837 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1220 1.7618 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5777 1.9049 -0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4588 -2.4920 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3534 -2.3716 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5826 -2.2677 1.4073 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