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
   -2.8888    1.0822    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7961    1.5832   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8887    0.4002   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.1423    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856   -1.2996    0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647   -2.5057    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622   -1.0813   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846   -2.0367   -0.7512 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715    0.1880   -0.8519 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004    0.4681   -1.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2179    0.1062    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6823    1.8496    0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973    0.9636    1.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2344    2.4217    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020    1.8262   -1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    0.6387   -1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -0.4514   -0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3045    0.6500    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.4938    1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827   -3.3354    0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029   -2.6306    1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255    1.5643   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -0.0611   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319    0.2960   -2.7273 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