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
   -2.9303   -0.0596   -1.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0452   -0.2681   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    0.0259   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834   -0.2150    0.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088   -0.6315    2.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227    0.0070    0.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2822   -0.1938    2.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.4398   -0.1574 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    0.6885   -0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532    0.9136   -1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -0.8584   -1.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885    0.0668   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1410   -1.3320    0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349    0.3741    0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2003   -0.6962   -1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4353    1.0503   -0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2099   -0.7892    2.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4745   -0.8178    2.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048    0.3242    0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859    0.1996   -1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    1.7718   -0.3899 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