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
   -3.2623    1.4932   -0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6767    0.4226    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643    0.1357   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962   -0.9194    0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7782   -1.1617    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0773   -2.3632   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -0.0965    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791    1.0200    0.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -0.3213   -0.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854    0.6675   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174    2.5096   -0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3689    1.4734   -0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964    1.2773   -1.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341   -0.4536    0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6074    0.8748    1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371   -0.1617   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909    1.0593   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5987   -0.6707    1.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867   -1.8516    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0587   -2.5743   -0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -3.1424   -0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585    1.4959   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0296    0.2119   -0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584    1.0750    0.8006 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