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
   -3.1900    0.4916    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597   -0.0015    0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935    0.0288   -0.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979   -0.4555   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434   -1.5330   -1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743    0.2608    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.2873    0.7777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834   -0.1753    0.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5548    0.4810    1.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3195    1.1237   -0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804   -0.3715    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    1.0563    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974    0.6087    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616   -1.0446    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534    1.0435   -1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765   -0.6871   -1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6753   -1.8786   -1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -2.0296   -1.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097   -0.2457    1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969    0.6754    2.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858    1.3651    0.5535 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