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
   -3.2561    1.0774   -0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8738   -0.2898   -0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6431   -0.8330   -0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454    0.0543   -0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7764   -0.4491    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849   -1.5574    0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0204    0.2825    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    1.3602   -0.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104   -0.1543    0.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4031    0.5690    0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0799    1.8180   -1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3547    1.1225   -0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6366    1.4203    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7169   -0.9750   -0.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239   -0.3087   -2.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406   -1.8336   -0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8503   -0.9411    0.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6823    1.0455   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835    0.2424   -1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647   -1.9436    1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288   -2.1035    0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212    0.9588   -0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4237    1.4660    1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3067   -0.0279    0.5533 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