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
   -2.0811    0.9242   -0.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9242   -0.5372   -1.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964   -1.2948   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3018   -0.9304    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -1.7716   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8232    0.2379    0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529    1.0592    1.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826    0.4835    0.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6974    1.6161    1.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742    1.5120   -1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    1.2954   -1.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048    1.1418    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529   -0.6380   -2.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882   -0.9375   -1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5627   -1.2875    0.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1634   -2.3859   -0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377   -1.5419   -0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895   -2.6508   -0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    1.2940    2.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8423    2.2468    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    2.1648    0.9558 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