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
    2.9497    1.1320   -0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    0.1890    0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445   -0.7319    0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2643    0.0032    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431   -0.9645    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5991   -2.2557    0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077   -0.4650   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1152   -1.2916   -0.2525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    0.8841   -0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7678    1.4053   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0770    2.1668   -0.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9337    0.9421   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.1592   -1.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259   -0.4773    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6445    0.7071    1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.3469   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   -1.3924    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2478    0.6559   -0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337    0.6734    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3800   -2.6653    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215   -2.9377   -0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417    1.7497   -1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5248    0.6247   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293    2.2360    0.4060 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