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
   -2.9349    0.6184   -0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002   -0.6009    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665   -1.2748   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912   -0.2554    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0679   -0.7784   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887   -2.0062   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890    0.1215    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616   -0.2824    0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    1.4098    0.6772 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    2.2944    0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782    1.5081    0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2415    0.7191   -1.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885    0.6642   -0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -1.3574    0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858   -0.4048    1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992   -2.1589    0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4056   -1.5581   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515    0.6188   -0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3118    0.1031    1.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2985   -2.3420   -0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986   -2.7159   -0.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959    2.8873   -0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782    3.0283    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165    1.7622    1.2655 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