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
   -2.8056    0.4434    0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0865   -0.6066   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -0.3343   -0.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -0.2603    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3163   -0.4525    1.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    0.0436    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    0.1266    1.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1506    0.2541   -0.8510 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5427    0.5540   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088    1.2127    0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4620   -0.0138    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5303    0.9766   -0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2786   -1.5954   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5572   -0.6714   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2246   -1.1732   -1.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012    0.6127   -1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464   -0.6835    1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405   -0.3798    2.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0377    0.5432    0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317   -0.1778   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438    1.5819   -1.3702 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