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
    3.5095   -0.2523    0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834   -0.2554    1.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    0.2429    0.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6219   -0.5919   -0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6516   -0.0769   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    0.3451   -2.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8213   -0.0543   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8469   -0.4392    1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0134    0.4400   -0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2050    0.4976    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3196    0.4631    0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2407   -0.0043   -0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0120   -1.2582    0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390    0.3740    2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -1.2818    1.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434    1.2933    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.1584    1.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934   -1.6218   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3859   -0.6650   -1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809    0.3109   -2.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6197    0.7250   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9672    1.0333   -0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5226   -0.5397    0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    1.0768    1.0558 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