Monomers

2,4,4-Trimethyl-1-pentene

Identifiers

IUPAC name
2,4,4-trimethylpent-1-ene
InchI
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
InchI Key
FXNDIJDIPNCZQJ-UHFFFAOYSA-N
SMILES
CC(=C)CC(C)(C)C
Canonical SMILES
CC(=C)CC(C)(C)C
Isomeric SMILES
CC(=C)CC(C)(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
2.9987
H Bond Acceptors
0
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
    2.3530   -1.7240    0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402   -0.5812    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.5734    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104   -0.8200    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9024    0.3100    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246    0.8782   -1.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372    1.4223    1.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3416   -0.2376    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056   -1.5968    1.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2159   -1.7013   -0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190   -2.6968    0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    1.4210   -0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526    0.7178    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2547   -1.1501    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2993   -1.7187   -0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154    1.9818   -1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958    0.3393   -1.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6411    0.6677   -1.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122    1.1625    1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7519    1.4057    1.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917    2.4043    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040   -1.0927   -0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0244    0.5432   -0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -0.5082    1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers