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
   -3.8497   -0.4548    0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720   -0.8625    0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618    0.2604    0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943   -0.1956    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560    0.8149    0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656    1.9927    0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278    0.5142   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185    1.4044    0.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277   -0.7060   -0.5402 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -0.8755   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8297    0.0880    1.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4245   -1.4035    0.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4048    0.0727   -0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692   -1.0276   -0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1900   -1.7849    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974    0.5975    1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822    1.1083   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1363   -0.5480   -0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132   -1.1379    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027    2.7760    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746    2.1913    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4949   -1.8091   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2672   -0.9960   -1.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7157   -0.0193   -0.5032 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