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
   -3.3075    0.5981    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059   -0.7370   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -0.6065   -0.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.2577    0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8342   -0.1422   -0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -0.3270   -1.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8937    0.1963    0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6560    0.3825    1.8921 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2255    0.3261    0.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2462    0.6563    1.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5712    1.4064   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4335    0.5358    1.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2794    0.9441   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5293   -0.8947   -1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0214   -1.5183    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173   -1.5775   -1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4511    0.1273   -1.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    0.6650    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -1.1401    0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3653   -0.5721   -2.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   -0.2327   -1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0079   -0.1622    1.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330    1.5640    0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192    0.7660    2.2191 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