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
    2.9056    1.2401    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151   -0.1666   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679   -0.8708    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3157   -0.1528   -0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8946   -0.8453    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8021   -1.9627    0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2128   -0.2832   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2541   -0.8647    0.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523    0.9083   -0.8603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6507    1.3994   -1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    1.9888   -0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464    1.3927    0.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525    1.4044    0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775   -0.1542   -1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6896   -0.7760   -0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509   -1.8782   -0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -0.9926    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848    0.8889    0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368   -0.0339   -1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7018   -2.4502    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1602   -2.3875    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0832    1.0027   -2.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3381    1.0978   -0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5970    2.4955   -1.1706 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