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
2.4761 -1.2431 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 -0.8867 -0.1632 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7250 0.3492 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6475 1.0972 0.7756 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6401 0.8060 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6599 0.0674 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4464 -1.2742 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 2.1386 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7904 -1.4383 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6952 -2.1156 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0864 -0.4067 0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6888 0.4166 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8255 -1.2174 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4110 -1.7092 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9599 -1.9030 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9042 2.5048 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9809 1.9780 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0904 2.8366 0.8056 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