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
   -2.4481    0.3284   -0.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.9598   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9545   -0.8119    0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760    0.0950    0.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3157    1.1667    1.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.1891   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788   -1.2035   -1.0262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    0.6531   -0.5143 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    0.3489   -1.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300    0.9101    0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3664    0.0781   -1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155    0.9321   -1.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6932   -1.6274    0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.4597   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5883   -1.8539    1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200   -0.4940    1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1456    1.8346    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807    1.4033    2.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682    0.7888   -1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656   -0.7490   -1.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462    0.8092   -2.4935 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