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
   -3.8665    0.0485    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5099    0.4944    0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4689   -0.1246   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.2167    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -0.4233   -0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -1.1691   -1.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315   -0.2445   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.7972   -1.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    0.5260    0.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752    0.6638    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539    0.1000    1.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7397   -0.9587   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969    0.7522   -0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4971    1.5819    0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    0.0365    1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6130   -1.2143   -0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676    0.2487   -1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0944   -0.1362    1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814    1.3169    0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -1.3539   -1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -1.6313   -2.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    1.1142   -0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447   -0.3467    0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5699    1.2999    1.4375 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