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
   -2.0013    1.2406    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476   -0.1299   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2230   -1.1680    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038   -0.9616   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704   -1.7708   -1.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703    0.0246    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.8449    0.9502 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1311   -0.5965 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840    1.1021   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9975    1.7948    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3320    1.8709   -0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6959    1.2644    1.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1898   -0.5011    0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4874   -0.1247   -1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -1.3656    1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6814   -2.1481   -0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254   -1.6765   -1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1999   -2.5400   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5286    1.0013    0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    1.0165   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8482    2.0951   -0.3815 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