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
    3.0778   -0.9388    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7334   -0.2637    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944    0.0023   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2286    0.6626   -0.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398    1.8518   -1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2711   -0.0576    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1087   -1.1928    0.5287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523    0.5017    0.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5774   -0.1962    0.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   -2.0001    0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4562   -0.5166   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   -0.7458    1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855    0.6774    1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1063   -0.8787    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    0.5749   -1.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851   -0.9965   -1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142    2.2948   -1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    2.3951   -1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3368   -0.4655    0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097   -1.1254    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0555    0.4171    1.6590 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