Monomers

Methyl 2-methylidenepentanoate

Identifiers

IUPAC name
methyl 2-methylidenepentanoate
InchI
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
QLXPVMDADJJSOC-UHFFFAOYSA-N
SMILES
CCCC(=C)C(=O)OC
Canonical SMILES
CCCC(=C)C(=O)OC
Isomeric SMILES
CCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.2512    1.0543   -0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9729    0.1561    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -1.1212    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374   -0.8398   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449   -1.2430   -1.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -0.1318    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.2952    1.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2803    0.0900   -0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3819    0.7717    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    2.0081   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0188    0.5319   -1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290    1.1731   -1.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463   -0.1314    1.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176    0.7271    1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -1.6467   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -1.7530    1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167   -1.7795   -2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1788   -1.0577   -2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3575    0.2932   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257    0.7744    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453    1.8287   -0.0758 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  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  5 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers