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
    2.9643    1.2455   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0260    0.0974   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222    0.0319    0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -1.1445    1.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510   -1.0993    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978   -2.0708   -0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287   -0.0053    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727    0.9040    0.9159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6827    0.0561   -0.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6432    1.0906   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    2.1921   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590    1.0661   -0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1256    1.4435   -1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013    0.2230   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428   -0.8395   -0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2175   -0.0098    1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8382    0.9462    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751   -1.1928    2.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456   -2.0683    0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134   -2.9014   -0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6165   -2.0505   -1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4823    1.8549   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6968    1.6157   -1.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6486    0.6151   -0.6586 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