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
    2.5430    0.9159    0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1874    0.7271    0.2514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929   -0.5440    0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587   -1.4890    0.5360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -0.7563   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6030    0.2365   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    1.6135   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812   -2.1776   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487    1.8417    1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    1.0598   -0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    0.0598    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6288    0.0602   -0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9074    2.3047   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.7824   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    1.9025    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6641   -2.7198   -0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246   -2.5687    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573   -2.2485   -0.2903 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