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
   -2.0634    1.0792    0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4553    0.5480   -0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0466   -0.8978   -0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357   -1.1230    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2974   -1.9313    1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.4615    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952   -0.6740    1.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.4148   -0.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9433    1.0462   -0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6590    1.9833    0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763    1.4251    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725    0.3801    0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180    1.1943   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2301    0.6117   -1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780   -1.1831   -1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9089   -1.5387   -0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2432   -2.4288    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181   -2.1020    2.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7165    0.3619   -0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2577    1.3603   -1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320    1.9353    0.0078 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