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
   -3.8051    0.8088   -0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322    1.0435   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -0.2376   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0636    0.1806   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8433   -0.9712    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3678   -2.1906    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2790   -0.7783    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1012   -1.7176    0.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303    0.5125    0.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2235    0.7327    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1222    0.7596   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3108    1.7175    0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1477   -0.0556    0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0436    1.6728    0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9855    1.5598   -1.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7193   -0.8450   -0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050   -0.7984    0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590    0.8587    0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053    0.7655   -0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005   -2.3458    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199   -3.0564    0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7011    0.1033   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.8288   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5683    0.4523    1.0793 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