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
    2.0250    0.9998    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6057   -0.2801   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256   -0.8482   -0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367   -0.9175    0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -0.1324   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836   -1.0111    0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0642    0.2519   -1.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263    1.1276    0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014    1.2233    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445    1.8587   -0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    1.0173    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3934   -0.4152   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1836   -1.7917   -1.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -1.9257   -0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412   -1.1093    1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9763   -0.3809    0.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629   -1.3193    1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550   -1.8560   -0.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4725   -0.3206   -2.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552    0.1724   -1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8315    1.3461   -1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223    1.3992    0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457    0.9332    1.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909    1.9785    0.4278 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