Monomers

Methyl 2-methylidenehexanoate

Identifiers

IUPAC name
methyl 2-methylidenehexanoate
InchI
InChI=1S/C8H14O2/c1-4-5-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
USUBUUXHLGKOHN-UHFFFAOYSA-N
SMILES
CCCCC(=C)C(=O)OC
Canonical SMILES
CCCCC(=C)C(=O)OC
Isomeric SMILES
CCCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
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

 24 23  0  0  0  0  0  0  0  0999 V2000
   -3.5074   -0.2963   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100   -0.2853    1.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495    0.2013    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515   -0.6496   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -0.0959   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507    0.3651   -2.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8294   -0.0680    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6776   -0.5038    1.2472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834    0.4546   -0.2474 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445    0.4768    0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6186   -1.3408   -0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430    0.3989   -0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4957   -0.0147    0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    0.3420    1.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465   -1.3199    1.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    1.2365    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4921    0.1464    1.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -0.7678   -1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653   -1.6809   -0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925    0.7889   -2.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495    0.3320   -2.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240   -0.5174    0.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    1.2648    0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7629    0.7702    1.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  6 20  1  0
  6 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers