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
   -2.0873    1.0739   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3755    0.7210    1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -0.7298    0.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0874   -1.0902   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -1.9920   -0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395   -0.5008   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522   -0.8608   -1.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885    0.4534    0.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771    1.0050    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4442    0.1442   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9386    1.7608   -0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3684    1.5421   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1394    0.8302    1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597    1.4024    1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493   -1.0161    1.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9179   -1.3154    0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358   -2.2784   -1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770   -2.4401   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    0.2542    0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    1.0519   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734    1.9845    0.8449 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