Monomers

Methyl 2-methylidenehexanoate

Identifiers

IUPAC name
methyl 2-methylidenehexanoate
InchI
InChI=1S/C8H14O2/c1-4-5-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
USUBUUXHLGKOHN-UHFFFAOYSA-N
SMILES
CCCCC(=C)C(=O)OC
Canonical SMILES
CCCCC(=C)C(=O)OC
Isomeric SMILES
CCCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
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

 24 23  0  0  0  0  0  0  0  0999 V2000
   -3.1576    0.1346    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7501    0.0292   -0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538    0.2122   -1.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -0.8779   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -0.8261   -0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -1.8666   -0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549    0.3213    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779    1.3452    0.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299    0.3651    0.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180    1.4447    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9565   -0.8236    1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2301    0.4004    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743    0.9114    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089    0.8152   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0641   -0.9762   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    1.2085   -0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.1531   -2.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619   -0.7116    0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0040   -1.8474   -0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0098   -2.7626   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -1.8853   -0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025    1.8635    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8794    1.1334    0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470    2.2395   -0.2938 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  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  6 20  1  0
  6 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers