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
   -2.0952    1.1582   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418   -0.3066    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308   -1.1910   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861   -0.9626    0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -1.9122    1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    0.1559    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7870    1.1038   -0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075    0.2343    0.7064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846    1.3227    0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631    1.7052    0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394    1.3255   -1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1113    1.6749    0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631   -0.4774    1.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482   -0.6341   -0.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4944   -2.2487   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.1110   -1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0860   -2.7890    1.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5918   -1.7586    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    1.9099    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2009    0.8906    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961    1.9102   -0.4206 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