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
   -3.3932    1.2154   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6584    0.3452    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318    0.0668   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5251   -0.8082    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651   -1.1084    0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153   -2.3676    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003   -0.0166    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921    1.1922    0.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1294   -0.2441   -0.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306    0.8381   -0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1446    1.8755   -0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    1.9051   -1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9104    0.5854   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -0.5989    0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6001    0.9497    1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044   -0.4039   -1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486    1.0599   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -0.3086    1.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1417   -1.7255    0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -3.1895    0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2335   -2.5644   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0293    0.4565    0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713    1.6493    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574    1.1968   -1.3809 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