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
   -2.1280    0.5546    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723    0.5963   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609   -0.7330   -0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460   -1.1279   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433   -2.2452    0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -0.3390    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863   -0.6981    0.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5216    0.8522   -0.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7154    1.5778   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983   -0.3202    0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7683    1.4542    0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270    0.5615    1.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4358    0.7693   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8777    1.4313   -0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482   -1.4897   -0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5469   -0.6768   -1.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174   -2.5924    1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8396   -2.8481    0.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7866    2.3955   -1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    2.0143    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.8633   -0.5245 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