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
   -2.9709    1.2335    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6491    0.6278   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431   -0.3768    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486   -0.9058    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2487   -2.1983   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672   -0.0140    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    1.2041    0.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649   -0.5523   -0.4819 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    0.2787   -0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7997    2.1769    0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4921    1.5516   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247    0.4970    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573    1.4550   -0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8188    0.1161   -1.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140    0.0801    1.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -1.1984    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -2.8695    0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1896   -2.5728   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6973    0.9844    0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    0.8735   -1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789   -0.3910   -0.7521 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