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
-2.3353 -1.5130 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0232 -0.9897 0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7709 0.3734 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7526 1.1397 -0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5772 0.9222 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 0.1603 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5319 -1.3034 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7297 2.3915 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7990 -1.2100 1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9151 -1.0886 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2575 -2.6188 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6177 0.6274 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 -1.7598 0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0424 -1.7608 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9806 -1.6090 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7986 2.6818 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1876 2.6881 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 2.8688 0.5960 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