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
2.6905 0.7569 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2809 0.6724 0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6560 -0.5616 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4142 -1.5610 -0.0599 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7868 -0.7087 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6107 0.3365 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1416 1.7165 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3474 -2.0726 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0549 1.5834 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0233 0.9399 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0628 -0.2424 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6771 0.1677 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 2.4008 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4886 1.8765 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6041 1.9794 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6310 -2.7850 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1952 -2.0037 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7115 -2.4950 0.7804 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