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
    3.2227   -0.4891    0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274   -0.6306    0.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0159    0.4617    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5428    1.5859   -0.0636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4181    0.3317   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984   -0.8584    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4543   -1.0426   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481    1.5399   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    0.5644    0.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6263   -1.0228    1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879   -0.8850   -0.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3895   -1.7229    0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560   -1.9749    0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7774   -1.2536   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0485   -0.2318    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785    2.4729   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043    1.5749    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994    1.5801   -1.3639 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