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
    2.9886   -0.8933    0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347   -0.4811   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825    0.9125    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362    1.1799   -1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    0.2025   -1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9870   -0.5418   -2.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5768    0.0916    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3509    0.8103    1.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300   -0.8083    0.3207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4071   -0.9029    1.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9695   -1.0718    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -1.8739    1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1572   -0.1526    1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080   -0.4453   -1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816   -1.1677   -0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    1.6011    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669    0.9393    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149    1.2927   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1019    2.1852   -0.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7870   -1.2500   -2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -0.4463   -2.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0189   -1.6228    2.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -1.2071    1.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5289    0.0821    1.9981 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