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
    2.7284    1.0582   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    0.4559   -1.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6888    0.0240   -1.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5717   -1.0217   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474   -1.4299    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2295   -2.6847   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8695   -0.4748    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0550   -0.8203    0.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355    0.8527    0.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5214    1.7933    1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6712    0.4148    0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    1.1696   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652    2.0894    0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385   -0.3332   -1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0681    1.2752   -2.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0624    0.9037   -0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.4552   -2.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198   -1.9220   -0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9311   -0.6352    0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -3.0236    0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4901   -3.4051   -0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987    1.3976    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3765    2.7798    0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5182    1.9915    2.2176 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