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
   -3.4622   -0.1219   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305    0.5927    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0106   -0.3944   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3196    0.2454   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3605    1.5409    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.5309   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933   -1.7660   -0.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7863    0.0590   -0.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9885   -0.6912   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9469    0.1296   -1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -1.2214   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910    0.1290    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    1.0110    1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1318    1.4171   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0865   -1.1418    0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0496   -0.8694   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107    2.1426    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433    2.0253    0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742    0.0485   -0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316   -1.1139    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8980   -1.4903   -0.9264 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