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
    2.2578   -0.7426    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    0.4815   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    1.6479   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2197    0.4199   -0.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.1221    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233   -1.5242    0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223   -0.0777   -0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315    0.7498    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3420   -0.5277    0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -1.5207   -0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   -1.1740    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6818    2.5820   -0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321    1.6779    0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1361    1.4296   -1.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082   -0.1955   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016   -1.5939    1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366   -2.0226    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592   -2.1246   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9199   -0.8332   -1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.2648   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    0.9408   -1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8494    1.6231    0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707    0.1379    1.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434    1.0332    1.8318 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