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
2.4930 -1.1817 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.8384 -0.1191 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7208 0.4785 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.3208 -0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6654 0.8484 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5751 -0.0344 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2969 -1.4809 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0715 2.2676 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8649 -1.8219 0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5314 -1.7958 -1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1404 -0.3084 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5943 0.2826 0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2115 -2.0523 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4977 -1.6913 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9153 -1.8814 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 2.6982 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 2.3060 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3311 2.8844 -0.6367 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