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
   -3.6464    0.4350    1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7029   -0.0472    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635   -0.1009    0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -0.5995   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505   -0.7357   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687   -1.9514   -0.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270    0.3768   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243    1.5188    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1780    0.2396    0.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552    1.2682    0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8987   -0.3749    1.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302    1.3271    1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5948    0.7480    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9795   -1.0856   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.5890   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372    0.8989    0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.7907    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6506    0.1659   -1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591   -1.5377   -1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8836   -2.8169   -0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5332   -2.1243   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    1.0072    1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785    2.2618    0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    1.3287   -0.1842 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