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
    3.2664   -0.3152   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -1.2251   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545   -0.4338    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633    0.5644   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467    1.2804   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6905    2.5813   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033    0.5766   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0178    1.2252    0.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521   -0.7923   -0.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022   -1.3975    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5295    0.2330    0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -0.9726   -0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1236    0.3491   -1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202   -1.8709    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9544   -1.8770   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197   -1.0973    0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1199    0.1459    1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061    1.2860   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3102    0.1069   -1.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2388    3.0882   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5248    3.1821    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6969   -2.0763   -0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2987   -1.9186    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2056   -0.6428    0.1447 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