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
   -2.6077    0.0424    1.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620    0.9326   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829    0.8200   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0303   -0.4923   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270   -1.5862   -0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.6022   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100   -1.7194   -0.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825    0.4619   -0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6955    0.3502   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404    0.6964    1.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4660   -0.5766    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7840   -0.5728    1.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819    0.6362   -0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011    1.9657    0.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324    1.2123    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217    1.5263   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2336   -2.5390   -0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8012   -1.6435   -0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0921    1.3190   -0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025    0.2869    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522   -0.5180   -0.7372 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