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
    3.4553    0.2099   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668    1.1662   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171    0.4841   -0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6945   -0.0390    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6111   -0.7272    0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6421   -1.9958    0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -0.0199    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976    1.1868   -0.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0940   -0.6263    0.2922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897    0.0712   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4372   -0.7428   -0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    0.7522   -0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    0.0896    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945    1.4946   -1.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893    2.0247   -0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2410    1.1533   -1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187   -0.3642   -1.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -0.7270    0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450    0.8101    1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060   -2.5294    1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843   -2.4943    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6295   -0.1761   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0483   -0.1688    0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1008    1.1680    0.0466 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