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
   -2.9002    1.0189    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777   -0.3662    0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5437   -1.0634   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3005   -0.2294    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8819   -0.8266   -0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504   -1.9431   -1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326   -0.1018   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520   -0.5603   -0.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559    1.0921    0.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176    1.7323    0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3494    1.1535   -0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9749    1.2136    0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    1.7415    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854   -0.3215    1.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026   -0.9570    0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4235   -2.0892    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7878   -1.0876   -1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369    0.7741   -0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0874   -0.1617    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761   -2.4770   -1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7346   -2.3246   -1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3535    2.8147    0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1534    1.3091    1.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742    1.6597   -0.5480 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