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
   -3.0867    0.7305   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174    0.5847    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0832   -0.6444   -0.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524   -0.9234   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005   -2.0430    0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079    0.0482   -0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627    1.1184   -0.7641 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988   -0.1790    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    0.8502    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4681   -0.2852   -0.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7971    1.2495   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9057    1.2619   -1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1709    1.5177   -0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    0.5095    1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -0.5109   -1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777   -1.4923   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4712   -2.2386    1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2637   -2.8127    0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    1.6300    0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3495    1.2774   -0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466    0.3514    0.1185 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