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
   -3.0818    0.4684   -0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137   -0.6441   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -0.7503    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    0.4961    0.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    0.3631    1.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523    0.4605    2.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7120    0.1260    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969    0.0278   -1.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0816   -0.0059    0.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9673   -0.2380   -0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    1.0590   -1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7529    1.1838   -0.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6142    0.1019   -1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800   -0.5732    0.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0385   -1.5958   -0.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909   -1.0803   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171   -1.5918    0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8733    1.3663    0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180    0.6939    1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5796    0.6364    3.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001    0.3660    2.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9120   -1.3038   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9988    0.0596   -0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.3743   -1.7541 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