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
   -3.7920    0.4204    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699    0.1430    1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4845    0.2188   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0428   -0.0444    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8055    0.0346   -1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2605    0.3007   -2.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418   -0.1828   -0.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.1106   -2.0307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097   -0.4680    0.1956 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3091   -0.6744    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1354   -0.4096   -0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4945    0.4693    1.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7601    1.3927    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    0.9265    1.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912   -0.8509    1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8918   -0.5115   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6265    1.2430   -0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999    0.6663    0.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0075   -1.0537    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8932    0.3532   -3.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106    0.4612   -2.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7195   -0.8597   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -1.6098    0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8510    0.1459    0.7218 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