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
   -3.1586    0.1347    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247   -0.6554    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3513    0.0110   -1.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1113   -0.6766   -1.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9664   -0.6942   -0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216   -1.8570   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185    0.5371   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728    1.6402   -0.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    0.5452    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    1.7214    1.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443    0.0969    1.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0093   -0.2712   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9867    1.1799    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955   -0.6763    1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2544   -1.6865   -0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735    1.0859   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187   -0.0751   -1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635   -0.0408   -2.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389   -1.6858   -1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251   -1.9485    0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -2.7969   -0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    1.6504    1.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    2.6089    0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7295    1.8524    2.4916 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