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
   -2.8642    0.7955   -0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6847    0.1673    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5326   -0.8335    0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2923   -0.0718    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -0.9279    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416   -2.2143    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -0.2969   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043   -1.0230   -0.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947    1.0392   -0.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    1.6487   -0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1216    1.6092   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.0069   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8856    1.2270   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6385   -0.3369    0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172    0.9834    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7492   -1.6407   -0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368   -1.1865    1.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297    0.4795   -0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366    0.7020    0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7158   -2.8441    0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -2.6854    0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3225    0.9072   -0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4563    1.9400   -1.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398    2.5552   -0.2179 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