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
    3.0162    0.0561   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8781    0.3602    0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047   -0.8195    1.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616   -1.4064   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082   -0.5503   -0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.3224   -2.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7203    0.0935   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1047   -0.0580    0.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    0.9016   -1.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    1.5416   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882   -1.0197   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625    0.5070   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574    0.5087    0.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.7268    1.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3080    1.2181    0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3126   -0.5926    2.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811   -1.6206    1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456   -2.2882    0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1450   -1.8448   -0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8025    0.3070   -2.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839   -0.7587   -2.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6051    1.5563    0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7589    2.5872   -0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5413    0.9171   -0.9214 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