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
   -3.6612    0.4985    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1697    0.6752    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480   -0.6501   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878   -0.6607   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7773   -0.2378    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3458   -0.0743    1.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912    0.0091    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9663    0.3730    1.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145   -0.1461   -0.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0797    0.0934   -1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478    0.1526    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635   -0.3112   -0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2137    1.4405    0.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1473    1.3467   -0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588    1.2301    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7219   -1.3017    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417   -1.1367   -1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1859   -1.7389   -0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -0.1420   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    0.2509    2.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.2473    2.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4715    0.8684   -0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878   -0.8333   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1359    0.5415   -2.2487 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