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
   -2.8963    0.4077    0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5678    1.1367    0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361    0.8367   -0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393   -0.6372   -0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2978   -1.1996    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -2.1727    0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5753   -0.6877    0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -1.1654    1.7124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2515    0.3297    0.0335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    0.8604    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497   -0.6389    0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1846    0.3822   -0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7151    0.8740    0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8133    2.2178    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1423    0.8431    1.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592    1.4569   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598    1.1415   -1.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396   -1.1595   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047   -0.7327   -1.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069   -2.6384    1.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635   -2.5763    0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3115    0.4176   -0.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6944    0.7451    1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4876    1.9589    0.1806 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