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
    2.9851   -0.0531    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7711   -0.5850   -0.1406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766    0.0832    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6729    1.1700    0.7585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099   -0.4076   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    0.2422   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821    1.5197    0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512   -1.6769   -1.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8480    1.0609    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335   -0.2613   -0.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891   -0.4311    1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838   -0.1640   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9145    1.8455    0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704    2.3252    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549    1.3759    1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.6515   -1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2178   -1.9182   -1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0284   -2.4740   -0.3407 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