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
    2.9648    1.1033   -0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    0.2267    0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272   -0.8378   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997   -1.6835    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529   -0.8581    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997   -0.8186    1.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5815   -0.1180   -0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985   -0.1953   -1.5806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6264    0.6261    0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4893    1.3790   -0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0631    2.0697    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    1.2824   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9506    0.6028   -0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0733    0.8161    0.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363   -0.2737    1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   -0.3879   -1.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -1.4360   -0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659   -2.1651    1.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0831   -2.4911   -0.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.3660    2.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -0.2418    2.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9271    2.1547   -1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0756    0.7109   -1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069    1.9011   -0.0712 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