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
   -3.0139    1.3769    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857    0.4340    0.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -0.0529    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1584   -1.0082    0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -1.4947   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0883   -2.7747   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211   -0.5672   -0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8764   -0.9667   -1.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316    0.8070   -0.3819 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7794    1.6726   -0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326    2.3392    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0294    1.5306    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952    0.9800   -0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7046    0.9911    1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760   -0.4321    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5018    0.8475   -0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4996   -0.5305   -0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2851   -0.4343    1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559   -1.8386    1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688   -3.4935    0.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9107   -3.1448   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855    2.6890   -0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944    1.7622   -2.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8053    1.3083   -0.8018 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